SCHEMBL30760503

SCHEMBL30760503

c1ccc(CNCc2ccn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ROCK2 O75116 1/20 0.44
MAOA P21397 1/20 0.42
ADRA2C P18825 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HRH2 P25021 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM2 P08172 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
BCHE P06276 1/20 0.41
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL31703968 0.86 USP2 (0.52) USP2LMNAHRH2CYP1A2CYP2D6
SCHEMBL7068594 0.76 TAAR1 (0.47) KMT2AADRA2CUSP2LMNAHRH2
SCHEMBL16606273 0.76 USP2 (0.41) ROCK2USP2LMNAHRH2CYP1A2
Hydrochloric Acid SCHEMBL31038658 0.75 MEN1 (0.70) MEN1KMT2ATDP1MAOACYP1A2
SCHEMBL1149871 0.75 USP2 (0.55) KMT2AMAOAUSP2LMNAHRH2
SCHEMBL18236754 0.75
SCHEMBL1654 0.74 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
Benzene SCHEMBL11697595 0.74 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5799878 0.74 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL31412882 0.73 MEN1 (0.67) MEN1KMT2ATDP1MAOACHRM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed