SCHEMBL20376696

SCHEMBL20376696

CCC1C=CN(C)C(=O)c2cc(Nc3cc(NC(=O)c4[nH]c(C(F)(F)F)nc4-c4ccc(F)cc4)ccc3C)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.60
MAPK10 P53779 3/20 0.34
DDR2 Q16832 3/20 0.34
ESYT2 A0FGR8 2/20 0.34
NBAS A2RRP1 2/20 0.34
CNOT1 A5YKK6 2/20 0.34
TBKBP1 A7MCY6 2/20 0.34
AGPS O00116 2/20 0.34
MYO1F O00160 2/20 0.34
SNAP23 O00161 2/20 0.34
AP3B1 O00203 2/20 0.34
PSMD12 O00232 2/20 0.34
BMPR1B O00238 2/20 0.34
PGRMC1 O00264 2/20 0.34
CLIC1 O00299 2/20 0.34
CDC7 O00311 2/20 0.34
IPO5 O00410 2/20 0.34
PLK4 O00444 2/20 0.34
COXFA4 O00483 2/20 0.34
NOP56 O00567 2/20 0.34

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
SCHEMBL20376697 0.95 MAPK14 (0.61) MAPK14DDR2ABL1BTKPIKFYVE
SCHEMBL20376698 0.94 MAPK14 (0.62) MAPK14DDR2LYNBRAFEPHB4
SCHEMBL15946946 0.75 MAPK14 (1.00) MAPK14YES1PKMBRAFRAF1
SCHEMBL20357846 0.72 MAPK14 (0.60) MAPK14BRAFPIKFYVE
SCHEMBL14691518 0.71 MAPK14 (0.60) MAPK14LMNABRAFMAPK1ALDH1A1
SCHEMBL30879828 0.71 MAPK14 (0.59) MAPK14LCKBTKCDK2KDR
SCHEMBL14691348 0.71 MAPK14 (0.59) MAPK14LCKBTKCDK2KDR
SCHEMBL14691347 0.71 MAPK14 (0.58) MAPK14LCKBRAFBTKKDR
SCHEMBL15946947 0.70 MAPK14 (1.00) MAPK14YES1BRAFRAF1PIKFYVE
SCHEMBL30879818 0.70 MAPK14 (0.58) MAPK14BRAFPIKFYVE

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
EP-2739143-B1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2018-07-11 EP disclosed