SCHEMBL25764532

SCHEMBL25764532

Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1-c1cnn(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.53
▸ IRAK4 Q9NWZ3 5/20 0.53
▸ IRAK1 P51617 5/20 0.53
▸ CHEK2 O96017 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ FLT4 P35916 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ DDR1 Q08345 1/20 0.53
▸ NTRK3 Q16288 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ PDGFRB P09619 3/20 0.52
▸ CDK7 P50613 3/20 0.52
▸ CCNH P51946 3/20 0.52
▸ MET P08581 2/20 0.48
▸ NRAS P01111 6/20 0.47
▸ CCNT1 O60563 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ USP30 Q70CQ3 3/20 0.43

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
SCHEMBL19918240 0.89 FLT3 (0.51) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL22840809 0.84 FLT3 (0.59) FLT3IRAK4IRAK1CHEK2ABL1
SCHEMBL24574418 0.84 IRAK4 (0.49) FLT3IRAK4IRAK1CHEK2ABL1
SCHEMBL24574421 0.84 IRAK4 (0.49) FLT3IRAK4IRAK1CHEK2ABL1
SCHEMBL31386874 0.84 FLT3 (0.56) FLT3IRAK4IRAK1CHEK2ABL1
SCHEMBL24574190 0.81 FLT3 (0.51) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL22145707 0.81 FLT3 (0.66) FLT3IRAK4IRAK1CHEK2ABL1
SCHEMBL24574511 0.81 FLT3 (0.53) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL24574159 0.81 FLT3 (0.51) FLT3IRAK4IRAK1PDGFRBCDK7
SCHEMBL24574154 0.81 FLT3 (0.51) FLT3IRAK4IRAK1PDGFRBCDK7

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-2023116888-A1 FIVE- AND SIX-MEMBERED COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 — — WO disclosed
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