SCHEMBL28261624

SCHEMBL28261624

COc1cc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 1.00
FGFR1 P11362 4/20 1.00
ABL1 P00519 1/20 0.62
PDGFRB P09619 1/20 0.62
KIT P10721 1/20 0.62
SRC P12931 1/20 0.62
BRAF P15056 1/20 0.62
KDR P35968 1/20 0.62
EPHB4 P54760 1/20 0.62
TEK Q02763 1/20 0.62
ERBB3 P21860 6/20 0.55
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54

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
SCHEMBL374173 0.86 EGFR (0.75) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL374439 0.84 EGFR (0.72) EGFRFGFR1ERBB3TUBB4ATUBB
SCHEMBL28260312 0.84 EGFR (1.00) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL374328 0.82 EGFR (0.74) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL379004 0.82 EGFR (0.69) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL28515327 0.80 EGFR (1.00) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL28503748 0.80 EGFR (0.66) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL374014 0.80 EGFR (0.66) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL373717 0.80 EGFR (0.80) EGFRFGFR1ERBB3TUBB4ATUBB
SCHEMBL374617 0.78 EGFR (0.63) EGFRFGFR1ABL1PDGFRBKIT

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-109053593-A 1- (2,6- chlorphenyl) -3- (substituted pyrimidines -4- base) carbamide compounds and its preparation and application 温州医科大学 2018-12-21 CN claimed
CN-109053593-B 1- (2, 6-chlorphenyl) -3- (substituted pyrimidine-4-yl) urea compound and preparation and application thereof 温州医科大学 2020-12-04 CN disclosed