SCHEMBL4789367

SCHEMBL4789367

Cc1ccc(Nc2cc(N3CCN(CCO)CC3)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.56
BRAF P15056 11/20 0.56
EGFR P00533 5/20 0.56
HCK P08631 1/20 0.47
NR2C2 P49116 1/20 0.47
BTK Q06187 1/20 0.47
CSF1R P07333 4/20 0.47
LYN P07948 2/20 0.47
RAF1 P04049 1/20 0.47
KIT P10721 1/20 0.47
MAP3K7 O43318 1/20 0.46
MAP4K2 Q12851 1/20 0.46
NTRK1 P04629 1/20 0.45
NTRK2 Q16620 1/20 0.45

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
SCHEMBL4789207 0.93 ABL1 (0.55) ABL1BRAFEGFRHCKNR2C2
SCHEMBL4789368 0.92 BRAF (0.60) ABL1BRAFEGFRHCKCSF1R
SCHEMBL4788124 0.92 ABL1 (0.59) ABL1BRAFEGFRHCKNR2C2
SCHEMBL4789584 0.88 CSF1R (0.57) ABL1BRAFEGFRHCKNR2C2
SCHEMBL4789210 0.85 BRAF (0.59) ABL1BRAFEGFRHCKCSF1R
SCHEMBL4788129 0.84 BRAF (0.67) ABL1BRAFEGFRHCKNR2C2
SCHEMBL4788636 0.84 EPHB2 (0.59) ABL1BRAFHCKNR2C2BTK
SCHEMBL4789587 0.80 CSF1R (0.68) ABL1BRAFEGFRCSF1RLYN
SCHEMBL4787030 0.80 BRAF (0.61) ABL1BRAFEGFRCSF1RKIT
SCHEMBL4789345 0.79 CSF1R (0.58) ABL1BRAFEGFRHCKBTK

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed