SCHEMBL21986157

SCHEMBL21986157

Cc1ncc(I)c2c1CCC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18819887 0.79 KDM4E (0.34) KDM4ECDC7DBF4ALDH1A1
SCHEMBL19711568 0.75 PNMT (0.38) KDM4E
SCHEMBL27380968 0.75 KDM4E (0.38) KDM4ECDC7DBF4HPGDALDH1A1
SCHEMBL22595561 0.74 UHRF1 (0.40) KDM4ECDC7DBF4HPGDALDH1A1
SCHEMBL19679254 0.74 KDM4E (0.35) KDM4ECDC7DBF4HPGDALDH1A1
SCHEMBL22890488 0.72 KDM4E (0.42) KDM4EHPGDALDH1A1
SCHEMBL16276753 0.70 KDM4E (0.36) KDM4ECDC7DBF4ALDH1A1
SCHEMBL25020899 0.67 KDM4E (0.44) KDM4EHPGDALDH1A1
SCHEMBL17208933 0.65 DRD4 (0.35) KDM4E
SCHEMBL3800030 0.65 DRD4 (0.37) KDM4E

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-3172214-B1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-05-13 EP disclosed