SCHEMBL10955693

SCHEMBL10955693

Cc1ncnc(Nc2ccc(C#N)cc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.56
DHODH Q02127 2/20 0.54
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
SYK P43405 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT1 Q99873 1/20 0.45
CLK1 P49759 1/20 0.44
EGFR P00533 3/20 0.44
CYP11B2 P19099 7/20 0.43
CYP11B1 P15538 6/20 0.43
KDM4E B2RXH2 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
KDR P35968 1/20 0.41
ADK P55263 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
SCHEMBL10955530 0.81 EGFR (0.57) DHODHTTBK1TTBK2EGFRKDM4E
SCHEMBL15381348 0.80 GPR119 (0.52) EGFR
SCHEMBL10955745 0.78 TTBK1 (0.51) TTBK1TTBK2EGFRKDM4EKDR
SCHEMBL10957697 0.78 EGFR (0.59) DHODHTTBK1TTBK2EGFR
SCHEMBL11010395 0.78 CCNT1 (0.50) EGFRKDM4EKDR
SCHEMBL10956277 0.78 EGFR (0.50) TTBK1TTBK2EGFRKDM4EKDR
SCHEMBL10958226 0.78 EGFR (0.57) ABCG2TTBK1TTBK2EGFRKDM4E
SCHEMBL10960284 0.76 TTBK1 (0.58) TTBK1TTBK2SYKKDM4E
Hydrochloric Acid SCHEMBL10960314 0.76 EGFR (0.55) ABCG2TTBK1TTBK2EGFRKDM4E
SCHEMBL10958170 0.75 MAPT (0.57) TTBK1TTBK2CLK1EGFRKDM4E

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
EP-0067630-B1 PYRIMIDINE DERIVATIVES, A PROCESS FOR PREPARING THEM AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-05-08 EP disclosed
US-4450162-A Pyrimidine derivatives and a pharmaceutical composition containing them SANKYO COMPANY, LIMITED (JP) 1984-05-22 US disclosed
EP-0067630-A1 Pyrimidine derivatives, a process for preparing them and a pharmaceutical composition containing them SANKYO COMPANY LIMITED (JP) 1982-12-22 EP disclosed