SCHEMBL31000104

SCHEMBL31000104

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)ncc3Cl)n2nc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 16/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ ALK Q9UM73 3/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ CDK2 P24941 2/20 0.38
▸ INSR P06213 1/20 0.38

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
SCHEMBL31000100 0.95 IGF1R (0.39) IGF1RKCNH2ALKCDK4CCND1
SCHEMBL31000072 0.92 CDK4 (0.45) IGF1RALKCDK4CCND1CCND3
SCHEMBL31000311 0.87 CDK4 (0.45) IGF1RALKCDK4CCND1CCND3
SCHEMBL31000233 0.87 CDK4 (0.45) IGF1RALKCDK4CCND1CCND3
SCHEMBL31000209 0.87 CDK4 (0.43) IGF1RALKCDK4CCND1CCND3
SCHEMBL31000174 0.86 CDK4 (0.44) IGF1RALKCDK4CCND1CCND3
SCHEMBL31000195 0.82 CFTR (0.36) IGF1RCDK4CCND1CCND3CDK6
SCHEMBL31000133 0.81 CDK7 (0.42) IGF1RKCNH2CDK2INSR
SCHEMBL31000196 0.81 CFTR (0.39) IGF1RALKCDK4CCND1CCND3
SCHEMBL31000294 0.81 CDK7 (0.50) IGF1RKCNH2CDK4CCND1CCND3

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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