SCHEMBL29009498

SCHEMBL29009498

C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.62
FLT1 P17948 6/20 0.62
FLT3 P36888 1/20 0.56
PDPK1 O15530 5/20 0.54
KDR P35968 2/20 0.53
PDGFRA P16234 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
CDK4 P11802 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48

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
SCHEMBL30382435 1.00 FGFR1 (0.62) FGFR1FLT1FLT3PDPK1KDR
SCHEMBL30382123 0.91 PDPK1 (0.66) FGFR1FLT1FLT3PDPK1
SCHEMBL29009554 0.91 PDPK1 (0.66) FGFR1FLT1FLT3PDPK1
SCHEMBL29009524 0.88 FGFR1 (0.56) FGFR1FLT1FLT3PDPK1KDR
SCHEMBL30382361 0.88 FGFR1 (0.56) FGFR1FLT1FLT3PDPK1KDR
SCHEMBL3535495 0.86 FGFR1 (0.62) FGFR1FLT1FLT3PDPK1KDR
SCHEMBL3540208 0.86 FGFR1 (0.67) FGFR1FLT1FLT3PDPK1KDR
SCHEMBL29009501 0.85 FGFR1 (0.62) FGFR1FLT1FLT3PDPK1KDR
SCHEMBL30382103 0.85 FGFR1 (0.62) FGFR1FLT1FLT3PDPK1KDR
SCHEMBL3535712 0.83 FGFR1 (0.58) FGFR1FLT1FLT3PDPK1KDR

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
CN-116217551-A Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2023-06-06 CN claimed
CN-116217551-A Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2023-06-06 CN disclosed