SCHEMBL21975658

SCHEMBL21975658

CNc1nc(-c2cccnc2)nc(Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1C=N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.57
TEK Q02763 4/20 0.57
YES1 P07947 3/20 0.57
MAPK14 Q16539 5/20 0.56
LCK P06239 5/20 0.56
ABL1 P00519 4/20 0.56
BCR P11274 4/20 0.56
BRAF P15056 4/20 0.56
SRC P12931 4/20 0.56
DDR1 Q08345 3/20 0.56
DDR2 Q16832 3/20 0.56
RET P07949 3/20 0.56
ESYT2 A0FGR8 2/20 0.56
NBAS A2RRP1 2/20 0.56
CNOT1 A5YKK6 2/20 0.56
TBKBP1 A7MCY6 2/20 0.56
AGPS O00116 2/20 0.56
MYO1F O00160 2/20 0.56
SNAP23 O00161 2/20 0.56
AP3B1 O00203 2/20 0.56

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
SCHEMBL21974992 0.94 KDR (0.49) KDRTEKYES1MAPK14LCK
SCHEMBL21975688 0.89 ABL1 (0.45) KDRTEKYES1MAPK14LCK
SCHEMBL22066074 0.83 BRAF (0.61) KDRTEKYES1MAPK14LCK
SCHEMBL21943344 0.81 PIKFYVE (0.62) KDRTEKYES1MAPK14LCK
SCHEMBL21943601 0.81 KDR (0.58) KDRTEKYES1MAPK14LCK
SCHEMBL22066484 0.81 MAPK14 (0.68) KDRTEKYES1MAPK14LCK
SCHEMBL21943339 0.81 BRAF (0.76) KDRTEKYES1MAPK14LCK
SCHEMBL21975119 0.80 RET (0.39) BRAFRETLMNAHSD17B10KIF5B
SCHEMBL21943333 0.80 KDR (0.61) KDRTEKYES1MAPK14LCK
SCHEMBL21975647 0.79 ABCG2 (0.48) KDRTEKYES1MAPK14BRAF

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
EP-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 EP disclosed
US-9425409-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed