SCHEMBL23201581

SCHEMBL23201581

Cc1cc(=O)[nH]c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.63
CCND1 P24385 12/20 0.63
CCND3 P30281 7/20 0.63
CCND2 P30279 6/20 0.63
CDK2 P24941 5/20 0.57
CCNA2 P20248 4/20 0.57
CCNA1 P78396 2/20 0.57
FGFR1 P11362 2/20 0.56
FGFR2 P21802 2/20 0.56
FGFR4 P22455 2/20 0.56
FGFR3 P22607 2/20 0.56
CDK6 Q00534 7/20 0.55
CCNK O75909 2/20 0.55
CDK9 P50750 2/20 0.55
CCNE1 P24864 2/20 0.53
CHEK1 O14757 1/20 0.52
DAPK3 O43293 1/20 0.52
CCNT1 O60563 1/20 0.52
CCNT2 O60583 1/20 0.52
ROCK2 O75116 1/20 0.52

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
SCHEMBL31194193 0.82 CDK4 (0.58) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4722863 0.82 CDK4 (0.62) CDK4CCND1CCND3CCND2CDK2
SCHEMBL18101478 0.80 CDK4 (0.66) CDK4CCND1CCND3CCND2CDK2
SCHEMBL29507502 0.78 CDK4 (1.00) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4835935 0.78 CDK4 (1.00) CDK4CCND1CCND3CCND2CDK2
SCHEMBL13812807 0.77 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK2
Hydrochloric Acid SCHEMBL4830677 0.77 CDK4 (0.98) CDK4CCND1CCND3CCND2CDK2
SCHEMBL20673673 0.76 CCND3 (0.56) CDK4CCND1CCND3CCND2CDK2
SCHEMBL22113110 0.75 CDK4 (0.59) CDK4CCND1CCND3CCND2CDK2
SCHEMBL7712824 0.75 CDK4 (0.67) CDK4CCND1CCND3CCND2CDK2

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-2021242770-A1 DRUG-LIKE MOLECULES AND METHODS FOR THE THERAPEUTIC TARGETING OF VIRAL RNA STRUCTURES UNIVERSITY OF WASHINGTON (US) 2021-12-02 WO disclosed
EP-3802825-A1 COMPOSITIONS AND METHODS FOR IMMUNOONCOLOGY Intellia Therapeutics, Inc. (US) 2021-04-14 EP disclosed