SCHEMBL31000156

SCHEMBL31000156

CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Nc2ncc(F)c(-c3cnc4ccc(C(C)(C)O)cn34)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ CCND3 P30281 2/20 0.45
▸ CDK6 Q00534 2/20 0.45
▸ EIF2AK4 Q9P2K8 9/20 0.42
▸ IGF1R P08069 2/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ DYRK2 Q92630 5/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ USP30 Q70CQ3 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
SCHEMBL31000140 0.94 CDK4 (0.44) CDK4CCND1CCND3CDK6EIF2AK4
SCHEMBL31000153 0.84 CDK4 (0.43) CDK4CCND1CCND3CDK6EIF2AK4
SCHEMBL31000199 0.82 CDK4 (0.40) CDK4CCND1CCND3CDK6EIF2AK4
SCHEMBL31000253 0.80 CDK7 (0.42) CDK4CCND1CCND3CDK6EIF2AK4
SCHEMBL25338902 0.79 EIF2AK4 (0.43) EIF2AK4
SCHEMBL31501015 0.79 CDK2 (0.43) CDK4CCND1CCND3CDK6IGF1R
SCHEMBL31000072 0.79 CDK4 (0.45) CDK4CCND1CCND3CDK6IGF1R
SCHEMBL22228831 0.78 CCNT1 (0.54) CDK4CCND1CCND3CDK6IGF1R
SCHEMBL31000209 0.76 CDK4 (0.43) CDK4CCND1CCND3CDK6IGF1R
SCHEMBL31000233 0.76 CDK4 (0.45) CDK4CCND1CCND3CDK6IGF1R

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-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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