SCHEMBL2433262

SCHEMBL2433262

CN1CCN(Cc2ccc(NC(=O)c3cncc4cc(Oc5cc(Cl)ncn5)ccc34)cc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.59
ABL1 P00519 5/20 0.59
CDK2 P24941 2/20 0.54
CDK8 P49336 2/20 0.54
CDK1 P06493 1/20 0.54
FGFR1 P11362 11/20 0.52
KDR P35968 8/20 0.52
KIT P10721 2/20 0.52
RET P07949 2/20 0.52
CSF1R P07333 2/20 0.52
STK25 O00506 1/20 0.52
CIT O14578 1/20 0.52
MAP2K7 O14733 1/20 0.52
IKBKB O14920 1/20 0.52
AURKA O14965 1/20 0.52
GAK O14976 1/20 0.52
CHUK O15111 1/20 0.52
MUSK O15146 1/20 0.52
MAPK13 O15264 1/20 0.52
MAP3K13 O43283 1/20 0.52

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
SCHEMBL2434212 0.92 SRC (0.59) SRCABL1CDK2CDK8CDK1
SCHEMBL2433730 0.92 SRC (0.57) SRCABL1CDK2CDK8CDK1
SCHEMBL2435870 0.91 ABL1 (0.57) SRCABL1CDK2CDK8CDK1
SCHEMBL2435267 0.86 CDK2 (0.58) SRCABL1CDK2CDK8CDK1
SCHEMBL4937797 0.83 SRC (0.72) SRCABL1CDK2CDK8CDK1
SCHEMBL2436227 0.83 KDR (0.70) SRCABL1CDK2CDK8CDK1
SCHEMBL2435727 0.83 KDR (0.56) SRCABL1CDK2CDK8CDK1
SCHEMBL2438876 0.83 KDR (0.66) KDRKITRETPDGFRBBRAF
SCHEMBL2465925 0.82 KDR (0.65) SRCABL1CDK2CDK8CDK1
SCHEMBL30151207 0.82 KDR (0.57) SRCABL1CDK2CDK8CDK1

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
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed