SCHEMBL8038692

SCHEMBL8038692

COc1ccc(-c2c(N)c(N)nn2C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.51
ABL1 P00519 5/20 0.51
HCK P08631 3/20 0.51
EGFR P00533 3/20 0.51
PIK3CD O00329 2/20 0.51
KDR P35968 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
MTOR P42345 2/20 0.51
PIK3CG P48736 2/20 0.51
EPHB4 P54760 2/20 0.51
PRKDC P78527 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
USP7 Q93009 1/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 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
SCHEMBL8036911 0.82 ABL1 (0.55) SRCABL1HCKEGFRPIK3CD
SCHEMBL8035250 0.82 HTR2A (0.48) SRCABL1HCKEGFRPIK3CD
SCHEMBL8041021 0.81 HTR2A (0.49) SRCABL1HCKEGFRPIK3CD
SCHEMBL8038678 0.80 HTR2A (0.47) SRCABL1HCKEGFRPIK3CD
SCHEMBL8041052 0.79 USP7 (0.47) SRCABL1HCKEGFRPIK3CD
SCHEMBL8038834 0.75 USP7 (0.43) USP7MAPTALDH1A1CYP1A1CYP1A2
SCHEMBL1803222 0.75 SRC (0.58) SRCABL1HCKEGFRPIK3CD
SCHEMBL8025164 0.74 ABL1 (0.45) SRCABL1HCKEGFRPIK3CD
SCHEMBL8025272 0.73 ALDH1A1 (0.43) TDP1USP7MAPTALDH1A1CYP1A2
SCHEMBL8375126 0.72 SRC (0.48) SRCABL1HCKEGFRPIK3CD

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 7 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
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