SCHEMBL30716643

SCHEMBL30716643

CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Nc2nc(-c3cnc4cnc(C(C)(C)O)cn34)ccc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 9/20 0.38
▸ TRPV3 Q8NET8 3/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ FLT3 P36888 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ IDH1 O75874 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
SCHEMBL30716642 1.00 EIF2AK4 (0.38) EIF2AK4TRPV3GPR119NTRK1FLT3
SCHEMBL25338902 0.87 EIF2AK4 (0.43) EIF2AK4TRPV3NTRK1FLT3SYK
SCHEMBL30698347 0.81 ALK (0.38) TRPV3GPR119NTRK1
SCHEMBL27370361 0.80 FLT3 (0.41) FLT3SYK
SCHEMBL27368391 0.80 FLT3 (0.41) FLT3SYK
SCHEMBL24574154 0.79 FLT3 (0.51) FLT3USP30SYKIDH1
SCHEMBL24574159 0.79 FLT3 (0.51) FLT3USP30SYKIDH1
SCHEMBL24574171 0.79 FLT3 (0.47) EIF2AK4FLT3USP30
SCHEMBL27368267 0.78 FLT3 (0.43) FLT3
SCHEMBL25335157 0.78 EIF2AK4 (0.42) EIF2AK4FLT3

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
WO-2023250431-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-28 — — WO disclosed
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