SCHEMBL8035063

SCHEMBL8035063

Cc1cccc(-c2[nH]nc(N)c2N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.58
PIK3CA P42336 1/20 0.58
PIK3CB P42338 1/20 0.58
PIK3CG P48736 1/20 0.58
PRKDC P78527 1/20 0.58
RAB9A P51151 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
IKBKB O14920 2/20 0.44
NOTUM Q6P988 1/20 0.44
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20247801 0.88 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6132033 0.82 MAPK1 (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8036864 0.79 NR1H2 (0.51) PIK3CGKMT2AMAPTNOTUMALDH1A1
SCHEMBL8025214 0.78 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2949076 0.77 KDM4E (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8034822 0.76 IKBKB (0.61) KMT2AMEN1IKBKBNOTUMIDO1
SCHEMBL28960377 0.74 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4491663 0.73 PDPK1 (0.71) MAP4K4
SCHEMBL12907221 0.73 JAK2 (0.71) MAPK1MAP4K4
SCHEMBL930181 0.71 IKBKE (0.56) RAB9AIKBKBNOTUMIDO1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090162-A THE META-AMINOPHENOL IS HALOGENATED AT THE ORTHO POSITION OF THE PHENOL AS A COUPLER; DYEING USING THIS COMPOSITION WITH AN OXIDIZING AGENT; MULTICOMPARTMENT DYE KIT; USE AS HAIR DYE RESISTANT TO LIGHT, SHAMPOO, PERM TREATMENTS L'OREAL S.A. (FR) 2000-07-18 US claimed
EP-0919221-A1 Oxidative dyeing composition for keratinic fibres containing a substituted 3,4 diaminopyrazole-5 and a halogenated meta-aminophenol and dyeing process L'OREAL (FR) 1999-06-02 EP claimed
EP-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP claimed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO claimed
US-6118008-A FIBER-REACTIVE DYE; HAIR DYE L'OREAL (FR) 2000-09-12 US disclosed
US-6090162-A THE META-AMINOPHENOL IS HALOGENATED AT THE ORTHO POSITION OF THE PHENOL AS A COUPLER; DYEING USING THIS COMPOSITION WITH AN OXIDIZING AGENT; MULTICOMPARTMENT DYE KIT; USE AS HAIR DYE RESISTANT TO LIGHT, SHAMPOO, PERM TREATMENTS L'OREAL S.A. (FR) 2000-07-18 US disclosed
EP-0919221-A1 Oxidative dyeing composition for keratinic fibres containing a substituted 3,4 diaminopyrazole-5 and a halogenated meta-aminophenol and dyeing process L'OREAL (FR) 1999-06-02 EP disclosed
EP-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP disclosed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO disclosed