SCHEMBL29514979

SCHEMBL29514979

Cc1cn(-c2cc(Cl)cc(NC(=O)c3ccc(C)c(C#Cc4cnc5[nH]ncc5c4)c3)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.62
BCR P11274 13/20 0.62
DDR1 Q08345 3/20 0.57
KIT P10721 3/20 0.57
DDR2 Q16832 1/20 0.57
FGFR1 P11362 1/20 0.52
CYP2C9 P11712 1/20 0.52
PDGFRA P16234 1/20 0.52
CYP2C19 P33261 1/20 0.52
FLT3 P36888 1/20 0.52
LRRK2 Q5S007 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ROR1 Q01973 1/20 0.52

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
SCHEMBL3432754 1.00 ABL1 (0.62) ABL1BCRDDR1KITDDR2
SCHEMBL29514905 0.91 ABL1 (0.63) ABL1BCRDDR1KITDDR2
SCHEMBL3434563 0.91 ABL1 (0.63) ABL1BCRDDR1KITDDR2
SCHEMBL29514804 0.90 ABL1 (0.68) ABL1BCRDDR1KITDDR2
SCHEMBL3431387 0.90 ABL1 (0.68) ABL1BCRDDR1KITDDR2
SCHEMBL3424826 0.89 KIT (0.71) ABL1BCRDDR1KITDDR2
SCHEMBL29515033 0.89 KIT (0.71) ABL1BCRDDR1KITDDR2
SCHEMBL3435403 0.89 ABL1 (0.79) ABL1BCRKITFGFR1CYP2C9
SCHEMBL29514917 0.89 ABL1 (0.79) ABL1BCRKITFGFR1CYP2C9
SCHEMBL29514920 0.87 ABL1 (0.65) ABL1BCRDDR1KITDDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999056-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2022-05-25 EP claimed
EP-3999056-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2022-05-25 EP disclosed
CN-112237579-B Pharmaceutical composition and use thereof 苏州亚盛药业有限公司 2022-03-29 CN disclosed