SCHEMBL4438212

SCHEMBL4438212

Cc1cc(Nc2ncncc2I)c(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
MAPK14 Q16539 5/20 0.53
LCK P06239 5/20 0.53
TEK Q02763 3/20 0.53
BRAF P15056 3/20 0.53
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
APEX1 P27695 1/20 0.47
RXFP1 Q9HBX9 5/20 0.47
KIT P10721 4/20 0.47
SRC P12931 3/20 0.47
CSF1R P07333 2/20 0.46
ABL1 P00519 1/20 0.45
SYK P43405 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL4438210 0.77 MAPK14 (0.56) KDRMAPK14LCKTEKBRAF
SCHEMBL4436387 0.74 MAPK14 (0.59) KDRMAPK14LCKTEKBRAF
SCHEMBL4439915 0.73 BRAF (0.58) KDRMAPK14LCKTEKBRAF
SCHEMBL4439947 0.73 BRAF (0.60) KDRMAPK14LCKTEKBRAF
SCHEMBL4445721 0.70 RAF1 (0.59) BRAF
SCHEMBL1264642 0.69 TEK (1.00) KDRMAPK14LCKTEKBRAF
SCHEMBL4446258 0.69 LCK (0.57) KDRMAPK14LCKTEKBRAF
SCHEMBL5261124 0.68 KDR (0.72) KDRMAPK14LCKTEKBRAF
SCHEMBL1264834 0.67 KDR (1.00) KDRMAPK14LCKTEKBRAF
SCHEMBL1268205 0.67 KDR (0.81) KDRMAPK14LCKTEKBRAF

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
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 WO disclosed