SCHEMBL29688472

SCHEMBL29688472

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cncnc2)nc2c1cnn2C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.86
LCK P06239 5/20 0.86
MAPK14 Q16539 5/20 0.86
SRC P12931 4/20 0.86
DDR1 Q08345 4/20 0.86
DDR2 Q16832 4/20 0.86
EPHB2 P29323 3/20 0.86
KDR P35968 3/20 0.86
ESYT2 A0FGR8 2/20 0.86
NBAS A2RRP1 2/20 0.86
CNOT1 A5YKK6 2/20 0.86
TBKBP1 A7MCY6 2/20 0.86
AGPS O00116 2/20 0.86
MYO1F O00160 2/20 0.86
SNAP23 O00161 2/20 0.86
AP3B1 O00203 2/20 0.86
PSMD12 O00232 2/20 0.86
BMPR1B O00238 2/20 0.86
PGRMC1 O00264 2/20 0.86
CLIC1 O00299 2/20 0.86

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
SCHEMBL23092285 1.00 BRAF (0.86) BRAFLCKMAPK14SRCDDR1
SCHEMBL29380618 0.92 ABL1 (1.00) BRAFLCKMAPK14SRCDDR1
SCHEMBL4699731 0.92 ABL1 (1.00) BRAFLCKMAPK14SRCDDR1
SCHEMBL29358745 0.92 ABL1 (1.00) BRAFLCKMAPK14SRCDDR1
SCHEMBL4697696 0.92 BRAF (0.86) BRAFLCKMAPK14SRCDDR1
SCHEMBL24532023 0.92 BRAF (0.74) BRAFLCKMAPK14SRCDDR1
SCHEMBL22024695 0.92 BRAF (0.86) BRAFLCKMAPK14SRCDDR1
SCHEMBL22024567 0.91 BRAF (0.81) BRAFLCKMAPK14SRCDDR1
SCHEMBL22025026 0.90 BRAF (0.82) BRAFLCKMAPK14SRCDDR1
SCHEMBL22025313 0.90 BRAF (0.80) BRAFLCKMAPK14SRCDDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028133-A1 RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2022-07-20 EP disclosed