SCHEMBL25988952

SCHEMBL25988952

C[C@@](O)(c1ccc2ncc(-c3nc(N[C@@H]4CNCC[C@H]4F)c(F)cc3F)n2c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.50
▸ NRAS P01111 4/20 0.50
▸ EIF2AK4 Q9P2K8 2/20 0.36
▸ IRAK4 Q9NWZ3 5/20 0.35
▸ CYP11B1 P15538 4/20 0.34
▸ CYP11B2 P19099 4/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CCNK O75909 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CDK12 Q9NYV4 2/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ CDK7 P50613 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32

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
SCHEMBL24231327 1.00 FLT3 (0.50) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL25988951 1.00 FLT3 (0.50) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL25991299 1.00 FLT3 (0.50) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL25991300 1.00 FLT3 (0.50) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL24231381 1.00 FLT3 (0.50) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL25989347 0.93 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL24231485 0.93 FLT3 (0.52) FLT3NRASEIF2AK4IRAK4CCNT1
SCHEMBL25990673 0.93 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL26359533 0.93 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL25989345 0.93 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1

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-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 — — WO disclosed
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