SCHEMBL4728294

SCHEMBL4728294

Cc1ncc(NC(=O)c2cc(C(C)(C)C)cc(C#N)c2OCCN2CCN(C)CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
RET P07949 3/20 0.39
RAF1 P04049 8/20 0.39
BRAF P15056 8/20 0.39
MAPK14 Q16539 3/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL4782731 0.87 RAF1 (0.39) EGFRRAF1BRAFMAPK14ABL1
SCHEMBL4728030 0.86 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL4783359 0.82 MAPK14 (0.35) RETRAF1BRAFMAPK14NTRK1
SCHEMBL4725979 0.82 MAPK14 (0.43) RAF1BRAFMAPK14
SCHEMBL4725981 0.81 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL4801725 0.80 RAF1 (0.45) RAF1BRAFMAPK14
SCHEMBL4729144 0.80 MAPK14 (0.41) RAF1BRAFMAPK14
SCHEMBL4410227 0.80 MAPK14 (0.38) EGFRRAF1BRAFMAPK14ABL1
SCHEMBL4726017 0.79 CCNT1 (0.41) RETRAF1BRAFMAPK14
SCHEMBL4730324 0.79 MAPK14 (0.42) RAF1BRAFMAPK14

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed