SCHEMBL31454367

SCHEMBL31454367

Cc1nc2ccc(Br)cc2n1C1CCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
MCHR1 Q99705 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FABP4 P15090 1/20 0.38
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP19A1 P11511 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL17678202 0.87 CDK9 (0.51) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL30847394 0.87 CDK9 (0.51) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL2493364 0.85 CDK9 (0.60) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL17586642 0.85 CDK9 (0.56) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL19698020 0.83 CDK9 (0.58) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL19703388 0.81 CDK9 (0.46) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL15206670 0.81 CDK9 (0.46) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL15206671 0.81 CDK9 (0.46) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL25523015 0.81 CDK9 (0.46) CDK9CCNT1MCHR1KDM4EALDH1A1
SCHEMBL29547847 0.78 MCHR1 (0.42) CDK9CCNT1MCHR1KDM4EALDH1A1

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
CN-119707925-A Compounds as KIF18A inhibitors and uses thereof 南京圣和药物研发有限公司 2025-03-28 CN disclosed