SCHEMBL13292002

SCHEMBL13292002

Cc1ccc(NC(=O)c2cnccn2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HCK P08631 5/20 0.46
LCK P06239 4/20 0.46
LYN P07948 4/20 0.46
INSR P06213 3/20 0.46
SRC P12931 3/20 0.46
KDR P35968 3/20 0.46
S1PR1 P21453 3/20 0.43
BRAF P15056 2/20 0.42
RAF1 P04049 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
BTK Q06187 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1825447 0.91 HCK (0.46) NPC1RAB9AHCKLCKLYN
SCHEMBL13269906 0.87 HCK (0.42) RAB9AHCKLCKLYNINSR
SCHEMBL1823112 0.86 HCK (0.49) HCKLCKLYNINSRSRC
SCHEMBL3232951 0.86 LCK (0.56) HCKLCKLYNINSRSRC
SCHEMBL1829414 0.86 LCK (0.49) HCKLCKLYNINSRSRC
SCHEMBL1846255 0.85 HCK (0.46) NPC1RAB9AHCKLCKLYN
SCHEMBL1825890 0.85 LCK (0.52) NPC1RAB9AHCKLCKLYN
SCHEMBL1822389 0.85 MAPK14 (0.53) HCKLCKLYNINSRSRC
SCHEMBL1823572 0.84 HCK (0.46) HCKLCKLYNINSRSRC
SCHEMBL13292000 0.84 HCK (0.47) HCKLCKLYNINSRSRC

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
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed