SCHEMBL25599129

SCHEMBL25599129

C=CC(=O)Nc1ccc2c(c1)nc(N1CCCC(F)C1)n2C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 5/20 0.41
CCNK O75909 5/20 0.41
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CDK7 P50613 5/20 0.41
CCNH P51946 5/20 0.41
MNAT1 P51948 5/20 0.41
CDK12 Q9NYV4 5/20 0.41
TERT O14746 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL25599089 0.89 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AGLANPC1KDM4E
SCHEMBL25681606 0.89 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AGLANPC1KDM4E
SCHEMBL25599144 0.89 MAPT (0.45) SMN1; SMN2RAB9AGLANPC1KDM4E
SCHEMBL25598176 0.86 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AGLANPC1KDM4E
SCHEMBL25682533 0.83 CCNA2 (0.39) RAB9AKDM4ECCNKCCNA2CDK2
SCHEMBL25599631 0.83 CDK7 (0.38) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL25599817 0.83 UCHL3 (0.37) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL25599216 0.83 CCNA2 (0.39) RAB9AKDM4ECCNKCCNA2CDK2
SCHEMBL25681855 0.82 BRPF1 (0.39) MAPT
SCHEMBL25599717 0.82 BRPF1 (0.39) MAPT

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
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed