SCHEMBL4779088

SCHEMBL4779088

Cc1ncc(Nc2cc(CN3CCN(C)CC3)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 8/20 0.38
DDR1 Q08345 7/20 0.38
ABL1 P00519 6/20 0.38
NTRK1 P04629 4/20 0.38
NTRK3 Q16288 4/20 0.38
NTRK2 Q16620 3/20 0.38
BCR P11274 1/20 0.38
BRAF P15056 1/20 0.35
CSF1R P07333 1/20 0.34
FLT3 P36888 1/20 0.34
KIT P10721 2/20 0.34
PIP5K1C O60331 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL4780120 0.92 DDR1 (0.35) DDR2DDR1ABL1BCRBRAF
SCHEMBL4778554 0.82 DDT (0.42)
SCHEMBL4780132 0.82 RAF1 (0.40) DDR2DDR1ABL1BCRBRAF
SCHEMBL4779207 0.81 NR1I2 (0.38)
SCHEMBL4783994 0.79 EGFR (0.33)
SCHEMBL4783352 0.79 MAPK14 (0.36) BRAFCTSLCTSSCTSK
SCHEMBL4782091 0.78 BRAF (0.32) BRAF
SCHEMBL4782897 0.77 DDT (0.40) ABL1BCRBRAF
SCHEMBL4783359 0.76 MAPK14 (0.35) NTRK1NTRK3NTRK2BRAF
SCHEMBL4781339 0.75 BRAF (0.43) BRAFCSF1R

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