SCHEMBL27362527

SCHEMBL27362527

CC(C)(O)c1cn2c(-c3nc(NC4CNCCC4F)c(F)cc3F)cnc2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.47
▸ NRAS P01111 9/20 0.47
▸ IRAK4 Q9NWZ3 7/20 0.34
▸ SYK P43405 1/20 0.33
▸ CCNT1 O60563 2/20 0.32
▸ CCNK O75909 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CDK12 Q9NYV4 2/20 0.32
▸ CDK7 P50613 3/20 0.32
▸ CCNH P51946 3/20 0.32
▸ IRAK1 P51617 3/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 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
SCHEMBL24574009 1.00 FLT3 (0.47) FLT3NRASIRAK4SYKCCNT1
SCHEMBL24574006 0.93 FLT3 (0.48) FLT3NRASIRAK4CCNT1CCNK
SCHEMBL27369767 0.93 FLT3 (0.48) FLT3NRASIRAK4CCNT1CCNK
SCHEMBL27369774 0.93 FLT3 (0.45) FLT3NRASIRAK4CCNT1CCNK
SCHEMBL24574007 0.93 FLT3 (0.45) FLT3NRASIRAK4CCNT1CCNK
SCHEMBL24574347 0.92 FLT3 (0.51) FLT3NRASIRAK4
SCHEMBL27369249 0.92 FLT3 (0.51) FLT3NRASIRAK4
SCHEMBL24231485 0.87 FLT3 (0.52) FLT3NRASIRAK4CCNT1CCNK
SCHEMBL27370364 0.87 FLT3 (0.40) FLT3NRASIRAK4CDK7CCNH
SCHEMBL27368394 0.87 FLT3 (0.40) 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 2 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-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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