SCHEMBL2715997

SCHEMBL2715997

Cc1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)nc(C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PANK3 Q9H999 1/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ TRPV1 Q8NER1 3/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ PHGDH O43175 1/20 0.37

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
SCHEMBL2717084 0.92 MEN1 (0.38) KMT2AMEN1PANK3RBP4TRPV1
SCHEMBL2719095 0.89 PHGDH (0.49) KMT2AMEN1RBP4TRPV1PHGDH
SCHEMBL4561884 0.88 RBP4 (0.40) KMT2AMEN1PANK3RBP4TRPV1
SCHEMBL2716178 0.86 MEN1 (0.42) KMT2AMEN1RBP4TRPV1
SCHEMBL2730292 0.86 TRPV1 (0.43) KMT2AMEN1RBP4TRPV1PHGDH
SCHEMBL2716097 0.85 MEN1 (0.39) KMT2AMEN1PANK3RBP4
SCHEMBL2715967 0.83 NPSR1 (0.41) RBP4TRPV1
SCHEMBL2719728 0.83 MEN1 (0.40) KMT2AMEN1RBP4TRPV1
SCHEMBL2718774 0.83 CNR2 (0.43) KMT2AMEN1RBP4TRPV1
SCHEMBL2716556 0.83 MEN1 (0.41) KMT2AMEN1RBP4TRPV1

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
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
Send feedback