SCHEMBL31000100

SCHEMBL31000100

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 16/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ ALK Q9UM73 3/20 0.39
▸ INSR P06213 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ CDK6 Q00534 1/20 0.37

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
SCHEMBL31000104 0.95 IGF1R (0.40) IGF1RKCNH2ALKINSRCDK2
SCHEMBL31000072 0.87 CDK4 (0.45) IGF1RALKCDK2CDK4CCND1
SCHEMBL30698336 0.82 SYK (0.38) —
SCHEMBL24542620 0.82 FLT3 (0.40) —
SCHEMBL31000233 0.82 CDK4 (0.45) IGF1RALKCDK2CDK4CCND1
SCHEMBL31000311 0.82 CDK4 (0.45) IGF1RALKCDK2CDK4CCND1
SCHEMBL31000209 0.82 CDK4 (0.43) IGF1RALKCDK2CDK4CCND1
SCHEMBL31000133 0.81 CDK7 (0.42) IGF1RKCNH2INSRCDK2
SCHEMBL31000174 0.81 CDK4 (0.44) IGF1RALKCDK2CDK4CCND1
SCHEMBL31000243 0.80 CFTR (0.39) IGF1RALKCDK2

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
Send feedback