SCHEMBL12192572

SCHEMBL12192572

Cc1ccc(NC(=O)c2cc(OC3CCCN3)cc(C(F)(F)F)c2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.47
LCK P06239 2/20 0.42
KDR P35968 2/20 0.42
SRC P12931 2/20 0.42
INSR P06213 1/20 0.42
LYN P07948 1/20 0.42
HCK P08631 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
KIT P10721 2/20 0.39
MAPK14 Q16539 2/20 0.39
BTK Q06187 2/20 0.39
DDR1 Q08345 2/20 0.39
PDGFRB P09619 1/20 0.39
ABL1 P00519 1/20 0.39
DDR2 Q16832 1/20 0.39
PTGS1 P23219 1/20 0.39
ADCY8 P40145 1/20 0.38
ADCY1 Q08828 1/20 0.38

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
SCHEMBL4257822 0.85 SCN9A (0.43) CSF1RLCKKDRSRCINSR
SCHEMBL12192469 0.81 CSF1R (0.69) CSF1RLCKKDRSRCINSR
SCHEMBL1358527 0.79 HDAC3 (0.58) CSF1RLCKKDRSRCKIT
SCHEMBL4257816 0.75 BTK (0.42) CSF1RLCKKDRSRCINSR
SCHEMBL12465329 0.75 P2RY14 (0.53) CSF1RLCKKDRSRCKIT
SCHEMBL4421974 0.75 CSF1R (0.52) CSF1RLCKKDRSRCKIT
SCHEMBL22025295 0.73 PTGS1 (0.64) KITBTKPTGS1
SCHEMBL12464982 0.72 HDAC3 (0.47) CSF1RLCKKDRSRCKIT
SCHEMBL4250376 0.72 CSF1R (0.67) CSF1RLCKKDRSRCINSR
SCHEMBL374471 0.71 PTGS1 (0.70) CSF1RLCKKDRSRCKIT

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-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed