SCHEMBL28069072

SCHEMBL28069072

CNc1ccc(-c2ccnc(C)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
DYRK1A Q13627 3/20 0.40
NFATC1 O95644 1/20 0.39
WNT3A P56704 3/20 0.39
PSEN1 P49768 6/20 0.39
PSEN2 P49810 6/20 0.39
APH1B Q8WW43 6/20 0.39
NCSTN Q92542 6/20 0.39
APH1A Q96BI3 6/20 0.39
PSENEN Q9NZ42 6/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CCNC P24863 1/20 0.38

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
SCHEMBL11962893 0.79 UHRF1 (0.54) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL27861151 0.79 DYRK1A (0.58) MAP4K4DYRK1AWNT3APSEN1PSEN2
SCHEMBL4180341 0.78 KDM4E (0.37)
SCHEMBL22886737 0.76 DYRK1A (0.44) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL18504874 0.76 CCNC (0.43) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL883728 0.76
SCHEMBL28719887 0.75 WNT3A (0.46) DYRK1AWNT3APORCN
SCHEMBL15317985 0.75 KDM4E (0.44) CYP3A4
SCHEMBL27343853 0.74 CYP1A2 (0.44) CLK4CYP2D6CYP3A4
SCHEMBL11951636 0.73 LMNA (0.47) CDC7ROCK2MAP4K4CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349093-B 5, 6-bicyclic compounds as WNT signal pathway inhibitors and medical application thereof 汇瀚医疗科技有限公司 2021-07-02 CN disclosed
CN-111349093-A 5, 6-bicyclic compounds as WNT signal pathway inhibitors and medical application thereof 汇瀚医疗科技有限公司 2020-06-30 CN disclosed
CN-104379583-B Compounds and compositions as WNT signaling inhibitors and uses thereof 广州源生医药科技有限公司 2016-06-08 CN disclosed