SCHEMBL31000187

SCHEMBL31000187

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4F)ncc3F)n2nc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.40
▸ PIK3R1 P27986 3/20 0.40
▸ ALK Q9UM73 6/20 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
▸ USP30 Q70CQ3 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ CFTR P13569 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34

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
SCHEMBL31000188 1.00 PIK3CA (0.40) PIK3CAPIK3R1ALKCDK4CCND1
SCHEMBL31000192 0.86 CDK4 (0.42) ALKCDK4CCND1CCND3CDK6
SCHEMBL31639210 0.85 USP30 (0.38) PIK3CAPIK3R1ALKCDK4CCND1
SCHEMBL31000209 0.82 CDK4 (0.43) ALKCDK4CCND1CCND3CDK6
SCHEMBL31639307 0.82 TBK1 (0.38) PIK3CAPIK3R1ALKUSP30LRRK2
SCHEMBL31000306 0.82 GAA (0.40) PIK3CACDK4CCND1CCND3CDK6
SCHEMBL31000072 0.82 CDK4 (0.45) ALKCDK4CCND1CCND3CDK6
SCHEMBL31000311 0.80 CDK4 (0.45) ALKCDK4CCND1CCND3CDK6
SCHEMBL31000233 0.80 CDK4 (0.45) ALKCDK4CCND1CCND3CDK6
SCHEMBL31000174 0.79 CDK4 (0.44) ALKCDK4CCND1CCND3CDK6

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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