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SCHEMBL2435957

SCHEMBL2435957

Nc1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 0.62
▸ MAPK14 Q16539 6/20 0.61
▸ TNNI3K Q59H18 6/20 0.61
▸ BRAF P15056 6/20 0.61
▸ FLT1 P17948 1/20 0.57
▸ FLT4 P35916 1/20 0.57
▸ LCK P06239 3/20 0.48
▸ MET P08581 3/20 0.48
▸ TEK Q02763 3/20 0.48
▸ RIPK1 Q13546 1/20 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
SCHEMBL2437406 0.92 KDR (0.63) KDRMAPK14TNNI3KBRAFFLT1
SCHEMBL4282402 0.89 KDR (0.57) KDRMAPK14TNNI3KBRAFFLT1
SCHEMBL10261459 0.89 KDR (0.52) KDRMAPK14TNNI3KBRAFLCK
SCHEMBL2437401 0.89 KDR (0.62) KDRMAPK14TNNI3KBRAF
SCHEMBL2433982 0.86 KDR (0.58) KDRMAPK14TNNI3KBRAFFLT1
SCHEMBL2432193 0.86 KDR (0.56) KDRMAPK14TNNI3KBRAFFLT1
SCHEMBL2435819 0.85 KDR (0.53) KDRMAPK14TNNI3KBRAFFLT1
SCHEMBL12972237 0.84 KDR (0.62) KDRMAPK14TNNI3KBRAFFLT1
SCHEMBL12972263 0.84 KDR (0.62) KDRMAPK14TNNI3KBRAFFLT1
SCHEMBL2434322 0.82 KDR (0.51) KDRMAPK14TNNI3KBRAFFLT1

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