SCHEMBL17525604

SCHEMBL17525604

Fc1cc(F)c(N2CCNCC2)nc1-c1n[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 5/20 0.49
▸ PRKCD Q05655 3/20 0.49
▸ PRKCA P17252 3/20 0.44
▸ HTR2C P28335 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CCND1 P24385 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CLK4 Q9HAZ1 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
SCHEMBL14725882 0.84 PRKCQ (0.50) PRKCQPRKCDPRKCACCND1CDK6
SCHEMBL9882034 0.83 PRKCQ (0.67) PRKCQPRKCDPRKCACCND1CDK6
SCHEMBL16863940 0.81 PRKCQ (0.49) PRKCQPRKCDPRKCAPRKD1
SCHEMBL14718139 0.81 PRKCQ (0.63) PRKCQPRKCDPRKCAPRKD1PIM1
SCHEMBL14718138 0.81 PRKCQ (0.63) PRKCQPRKCDPRKCAPRKD1PIM1
SCHEMBL16864088 0.81 PRKCQ (0.49) PRKCQPRKCDPRKCAPRKD1
SCHEMBL16864087 0.81 PRKCQ (0.49) PRKCQPRKCDPRKCAPRKD1
SCHEMBL1843636 0.81 PRKCQ (0.49) PRKCQPRKCDPRKCAPRKD1
SCHEMBL14725879 0.80 PRKCQ (0.58) PRKCQPRKCDPRKCAPRKD1
SCHEMBL799931 0.80 PRKCQ (0.65) PRKCQPRKCDPRKCAPRKD1

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
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 — — EP disclosed
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