SCHEMBL31000086

SCHEMBL31000086

Fc1cnc(N[C@H]2CNCC[C@@H]2F)nc1-c1cnc2cnc(C3COC3)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 8/20 0.41
▸ CCNH P51946 8/20 0.41
▸ MNAT1 P51948 5/20 0.41
▸ CCNT1 O60563 4/20 0.41
▸ CCNK O75909 4/20 0.41
▸ CCNE1 P24864 4/20 0.41
▸ CDK2 P24941 4/20 0.41
▸ CDK9 P50750 4/20 0.41
▸ CDK12 Q9NYV4 4/20 0.41
▸ FLT3 P36888 11/20 0.39
▸ NRAS P01111 7/20 0.39
▸ IRAK4 Q9NWZ3 5/20 0.34
▸ IRAK1 P51617 4/20 0.34
▸ PDGFRB P09619 3/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ LCK P06239 2/20 0.32
▸ RET P07949 2/20 0.32
▸ BLK P51451 2/20 0.32
▸ SRPK1 Q96SB4 1/20 0.32
▸ CDK4 P11802 1/20 0.31

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
SCHEMBL31000253 0.77 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL31000153 0.77 CDK4 (0.43) CDK2CDK4CCND1CCND3CDK6
SCHEMBL31000232 0.77 FLT3 (0.39) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL31000154 0.75 CDK7 (0.41) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL24574001 0.74 FLT3 (0.56) CDK7CCNHFLT3NRASIRAK4
SCHEMBL27369869 0.74 FLT3 (0.56) CDK7CCNHFLT3NRASIRAK4
SCHEMBL31000145 0.74 NRAS (0.34) FLT3NRAS
SCHEMBL31000223 0.73 FLT3 (0.37) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL24574006 0.71 FLT3 (0.48) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL27369767 0.71 FLT3 (0.48) CDK7CCNHMNAT1CCNT1CCNK

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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