SCHEMBL3345910

SCHEMBL3345910

CC(C)(C)Nc1cc(-c2ccc(C#Cc3cccc(F)c3)s2)nc2ccnn12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.35
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK3 Q00526 1/20 0.33
IKBKB O14920 1/20 0.32

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
SCHEMBL3346921 0.90 KCNN3 (0.37) GRM5CCNT1CDK1CDK4CCNA2
SCHEMBL3346499 0.89 CDK2 (0.35) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL3351713 0.89 KCNN3 (0.38) GRM5CCNT1CDK1CDK4CCNA2
SCHEMBL3348362 0.86 CDK2 (0.39) GRM5CCNE1CDK2
SCHEMBL3347564 0.84 GRM5 (0.33) GRM5CCNT1CDK1CDK4CCNA2
SCHEMBL3351298 0.83 GRM5 (0.33) GRM5IKBKB
SCHEMBL3346746 0.82 KCNN1 (0.38) GRM5CCNT1CDK1CDK4CCNA2
SCHEMBL3345946 0.82 GRM5 (0.39) GRM5CCNT1CDK1CDK4CCNA2
SCHEMBL3347648 0.81 GRM5 (0.33) GRM5CCNT1CDK1CDK4CCNA2
SCHEMBL3351751 0.81 CDK2 (0.38) GRM5CCNT1CDK1CDK4CCNA2

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed