SCHEMBL30822750

SCHEMBL30822750

CC(C)n1cnc2c(N)nc(N[C@H]3CC[C@H](N)C3)nc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.57
▸ CDK2 P24941 18/20 0.56
▸ CCNE1 P24864 17/20 0.56
▸ CDK1 P06493 4/20 0.56
▸ CCNB1 P14635 2/20 0.56
▸ CCNE2 O96020 14/20 0.54
▸ CCNA2 P20248 14/20 0.54
▸ CCNA1 P78396 14/20 0.54
▸ CCNT1 O60563 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CCNH P51946 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49

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
SCHEMBL30822737 0.82 CLK1 (0.58) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL30822749 0.81 CLK1 (0.67) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL20549659 0.77 CDK2 (0.61) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL20549660 0.77 CDK2 (0.61) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL27139782 0.76 CCNE2 (0.90) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL6824057 0.76 FLT3 (0.58) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL6824059 0.76 FLT3 (0.58) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL22571127 0.76 CDK2 (0.67) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL23547294 0.75 CDK2 (0.63) FLT3CDK2CCNE1CDK1CCNB1
Hydrochloric Acid SCHEMBL6817990 0.75 FLT3 (0.57) FLT3CDK2CCNE1CDK1CCNB1

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-117659016-A Cyclin modulators 嘉兴优博生物技术有限公司 2024-03-08 — — CN disclosed
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