SCHEMBL18291305

SCHEMBL18291305

Cc1ccc(CN2CCNCC2=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
CDK4 P11802 1/20 0.41
CDK6 Q00534 1/20 0.41
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 3/20 0.41
GPR4 P46093 1/20 0.41
KCNH2 Q12809 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
TLR7 Q9NYK1 6/20 0.39
ADORA1 P30542 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPC5 Q9UL62 1/20 0.36

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
SCHEMBL18291271 0.83 CDK4 (0.41) CDK4CDK6GPR4KCNH2GABRA1
SCHEMBL20038452 0.83 CDK4 (0.41) CDK4CDK6GPR4KCNH2SMN1; SMN2
SCHEMBL20037443 0.82 CDK4 (0.50) CDK4CDK6GPR4KCNH2SMN1; SMN2
SCHEMBL20249148 0.82 CDK4 (0.40) CDK4CDK6PRMT5WDR77GPR4
SCHEMBL13853395 0.79 L3MBTL1 (0.53) CHRM1PRMT5WDR77KCNH2GABRA1
SCHEMBL14993193 0.78 ALDH1A1 (0.53) CDK4CDK6
SCHEMBL18291282 0.78 CHRNB2 (0.41)
SCHEMBL24648953 0.77 MGLL (0.43) GPR4KCNH2SMN1; SMN2
SCHEMBL14307263 0.77 CXCR4 (0.53) CHRM1
Hydrochloric Acid SCHEMBL1306753 0.77 ALDH1A1 (0.52) CDK4CDK6

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed