SCHEMBL24574585

SCHEMBL24574585

CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3cnc4cnc(C5(C(F)(F)F)CC5)cn34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 5/20 0.47
▸ IDH1 O75874 2/20 0.47
▸ CCNT1 O60563 1/20 0.45
▸ SYK P43405 1/20 0.43
▸ IRAK4 Q9NWZ3 6/20 0.43
▸ USP30 Q70CQ3 2/20 0.42
▸ IDH2 P48735 1/20 0.42
▸ NRAS P01111 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.38

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
SCHEMBL24231490 0.90 FLT3 (0.50) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24574020 0.90 FLT3 (0.49) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24231782 0.87 FLT3 (0.48) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24231841 0.87 IDH1 (0.46) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24574584 0.86 FLT3 (0.41) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24574190 0.85 FLT3 (0.51) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24574365 0.85 FLT3 (0.48) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24574586 0.84 FLT3 (0.49) FLT3IDH1CCNT1SYKIRAK4
SCHEMBL24574511 0.84 FLT3 (0.53) FLT3IDH1CCNT1IRAK4USP30
SCHEMBL24574159 0.84 FLT3 (0.51) FLT3IDH1CCNT1SYKIRAK4

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-2022140647-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-30 — — WO disclosed
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