SCHEMBL3387854

SCHEMBL3387854

COc1ccc2c(c1)CC(c1nc(NCCc3cccnc3)c3cc(-c4cn[nH]c4)ccc3n1)CO2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.60
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL3384565 0.93 ROCK2 (0.62) ROCK2MEN1USP2ALDH1A1LMNA
SCHEMBL13362739 0.79 ROCK2 (0.73) ROCK2
SCHEMBL3386714 0.79 ROCK2 (0.73) ROCK2
SCHEMBL13362854 0.79 ROCK2 (0.73) ROCK2
SCHEMBL3384073 0.78 ROCK2 (0.59) ROCK2
SCHEMBL3385424 0.78 ROCK2 (0.82) ROCK2
SCHEMBL13362623 0.76 ROCK2 (0.42) ROCK2MEN1USP2ALDH1A1LMNA
SCHEMBL13362852 0.76 ROCK2 (1.00) ROCK2
SCHEMBL3388227 0.75 ROCK2 (0.67) ROCK2
SCHEMBL3387837 0.75 ROCK2 (1.00) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
WO-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
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