SCHEMBL30449671

SCHEMBL30449671

CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cn(-c4ccnc(Cl)c4Cl)cn3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.60
▸ CDK2 P24941 18/20 0.60
▸ CDK1 P06493 14/20 0.57
▸ CCNB1 P14635 14/20 0.57
▸ CCND1 P24385 11/20 0.57
▸ CDK6 Q00534 11/20 0.57
▸ CDK4 P11802 10/20 0.57
▸ CCND3 P30281 10/20 0.57
▸ CCNT1 O60563 4/20 0.54
▸ CDK7 P50613 4/20 0.54
▸ CDK9 P50750 4/20 0.54
▸ CCNH P51946 4/20 0.54
▸ MNAT1 P51948 4/20 0.54
▸ CCNB2 O95067 3/20 0.47
▸ CCNE2 O96020 3/20 0.47
▸ CDK5 Q00535 3/20 0.47
▸ CDK5R1 Q15078 3/20 0.47
▸ CCNB3 Q8WWL7 3/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ PTK2 Q05397 1/20 0.45

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
SCHEMBL22977486 1.00 CCNE1 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977354 0.94 CCNE1 (0.62) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977443 0.92 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977072 0.91 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977308 0.91 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977015 0.90 CCNE1 (0.58) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977162 0.89 CCNE1 (0.65) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL29821123 0.89 CCNE1 (0.65) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22976889 0.89 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977108 0.88 CCNE1 (0.54) CCNE1CDK2CDK1CCNB1CCND1

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-116348458-A Imidazolylpyrimidinylamine compounds as CDK2 inhibitors 因赛特公司 2023-06-27 — — CN disclosed
Send feedback