SCHEMBL4789207

SCHEMBL4789207

CCN1CCN(c2cc(Nc3ccc(C)c(NC(=O)c4cnc5[nH]ccc5c4)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.55
BRAF P15056 14/20 0.55
EGFR P00533 2/20 0.55
HCK P08631 2/20 0.49
LYN P07948 2/20 0.49
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
NR2C2 P49116 1/20 0.47
BTK Q06187 1/20 0.47
RAF1 P04049 3/20 0.47
CSF1R P07333 2/20 0.47

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
SCHEMBL4789367 0.93 ABL1 (0.56) ABL1BRAFEGFRHCKLYN
SCHEMBL4789210 0.92 BRAF (0.59) ABL1BRAFEGFRHCKLYN
SCHEMBL4788124 0.92 ABL1 (0.59) ABL1BRAFEGFRHCKLYN
SCHEMBL4789584 0.90 CSF1R (0.57) ABL1BRAFEGFRHCKLYN
SCHEMBL4789368 0.85 BRAF (0.60) ABL1BRAFEGFRHCKLYN
SCHEMBL4788673 0.84 MAP3K7 (0.45) BRAFHCKLYNINSRLCK
SCHEMBL4788129 0.83 BRAF (0.67) ABL1BRAFEGFRHCKLYN
SCHEMBL4788636 0.83 EPHB2 (0.59) ABL1BRAFHCKLYNLCK
SCHEMBL4789587 0.81 CSF1R (0.68) ABL1BRAFEGFRLYNRAF1
SCHEMBL4787030 0.81 BRAF (0.61) ABL1BRAFEGFRLCKSRC

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