SCHEMBL29918250

SCHEMBL29918250

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 1.00
KDR P35968 6/20 0.80
RET P07949 3/20 0.79
BRAF P15056 3/20 0.79
GSK3B P49841 2/20 0.79
CDK8 P49336 2/20 0.79
RIPK2 O43353 2/20 0.79
ABCB11 O95342 2/20 0.79
ABL1 P00519 2/20 0.79
HTR1A P08908 2/20 0.79
PDGFRB P09619 2/20 0.79
ADORA3 P0DMS8 2/20 0.79
KIT P10721 2/20 0.79
FGFR1 P11362 2/20 0.79
PDGFRA P16234 2/20 0.79
FLT1 P17948 2/20 0.79
MAOA P21397 2/20 0.79
EPHA1 P21709 2/20 0.79
TBXA2R P21731 2/20 0.79
EPHA2 P29317 2/20 0.79

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
SCHEMBL548133 1.00 RAF1 (1.00) RAF1KDRRETBRAFGSK3B
SCHEMBL939087 0.92 RAF1 (0.85) RAF1KDRRETBRAFGSK3B
SCHEMBL9926369 0.92 RAF1 (0.85) RAF1KDRRETBRAFGSK3B
SCHEMBL9926366 0.92 RAF1 (0.85) RAF1KDRRETBRAFGSK3B
SCHEMBL3405012 0.92 RAF1 (0.85) RAF1KDRRETBRAFGSK3B
SCHEMBL3408496 0.92 RAF1 (0.85) RAF1KDRRETBRAFGSK3B
SCHEMBL3408499 0.91 RAF1 (0.83) RAF1KDRRETBRAFGSK3B
SCHEMBL10000735 0.91 RAF1 (0.83) RAF1KDRRETBRAFGSK3B
SCHEMBL28948534 0.91 RAF1 (0.83) RAF1KDRRETBRAFGSK3B
SCHEMBL29793192 0.91 RAF1 (0.83) RAF1KDRRETBRAFGSK3B

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-118974066-A EGFR degrading agent 北京泰德制药股份有限公司 2024-11-15 CN disclosed
CN-115068620-A Pharmaceutical composition capable of reducing generation of arylamine impurities 天津睿创康泰生物技术有限公司 2022-09-20 CN disclosed