SCHEMBL24975698

SCHEMBL24975698

COc1cc2ncc(-c3ccnc(N[C@H]4CNCC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.41
▸ NRAS P01111 11/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ CDK7 P50613 3/20 0.40
▸ CCNH P51946 3/20 0.40
▸ IRAK1 P51617 3/20 0.40
▸ PDGFRB P09619 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MAPK8 P45983 3/20 0.40
▸ CDK2 P24941 3/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CCNK O75909 2/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CDK12 Q9NYV4 2/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ CHEK2 O96017 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
SCHEMBL31557816 1.00 FLT3 (0.41) FLT3NRASIRAK4CDK7CCNH
SCHEMBL27362507 1.00 FLT3 (0.41) FLT3NRASIRAK4CDK7CCNH
SCHEMBL31000099 0.94 IRAK4 (0.38) FLT3NRASIRAK4CDK7CCNH
SCHEMBL31557787 0.93 FLT3 (0.37) FLT3NRASIRAK4CDK7CCNH
SCHEMBL24975656 0.93 FLT3 (0.37) FLT3NRASIRAK4CDK7CCNH
SCHEMBL31000184 0.93 FLT3 (0.39) FLT3NRASIRAK4CDK7CCNH
SCHEMBL31000202 0.91 FLT3 (0.38) FLT3NRASIRAK4CDK7CCNH
SCHEMBL31000143 0.91 FLT3 (0.41) FLT3NRASIRAK4CDK7CCNH
SCHEMBL31000204 0.89 MAPK8 (0.38) FLT3NRASIRAK4CDK7CCNH
SCHEMBL24975652 0.88 FLT3 (0.51) FLT3NRASIRAK4CDK7CCNH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030908-A1 MULTI-CYCLIC IRAK1 AND IRAK4 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-02-08 — — WO disclosed
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 — — WO disclosed
WO-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 — — WO disclosed
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