SCHEMBL30176502

SCHEMBL30176502

C[C@@H]1CN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.84
CDK2 P24941 3/20 0.84
CCND1 P24385 3/20 0.84
GAK O14976 1/20 0.84
CCNT1 O60563 1/20 0.84
CCNA2 P20248 1/20 0.84
FECH P22830 1/20 0.84
CCND3 P30281 1/20 0.84
CDK9 P50750 1/20 0.84
CDK6 Q00534 1/20 0.84
CDK16 Q00536 1/20 0.84
MAP3K1 Q13233 1/20 0.84
CAMK2G Q13555 1/20 0.84
CAMK2D Q13557 1/20 0.84
Q6ZSR9 Q6ZSR9 1/20 0.84
PRKD2 Q9BZL6 1/20 0.84
SIK2 Q9H0K1 1/20 0.84
CDK1 P06493 9/20 0.80

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
SCHEMBL303528 1.00 CDK4 (0.84) CDK4CDK2CCND1GAKCCNT1
SCHEMBL30176533 1.00 CDK4 (0.84) CDK4CDK2CCND1GAKCCNT1
SCHEMBL302315 1.00 CDK4 (0.84) CDK4CDK2CCND1GAKCCNT1
SCHEMBL30176539 1.00 CDK4 (0.84) CDK4CDK2CCND1GAKCCNT1
SCHEMBL302246 1.00 CDK4 (0.84) CDK4CDK2CCND1GAKCCNT1
SCHEMBL1993648 0.92 CDK4 (0.85) CDK4CDK2CCND1GAKCCNT1
Ribociclib SCHEMBL302310 0.91 CDK4 (1.00) CDK4CDK2CCND1GAKCCNT1
SCHEMBL29507480 0.91 CDK4 (0.69) CDK4CDK2CCND1GAKCCNT1
Ribociclib SCHEMBL29385337 0.91 CDK4 (1.00) CDK4CDK2CCND1GAKCCNT1
Ribociclib SCHEMBL29384231 0.91 CDK4 (1.00) CDK4CDK2CCND1GAKCCNT1

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
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP claimed
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed