SCHEMBL13985158

SCHEMBL13985158

C/N=C(\NC)N/N=C(\C)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.64
▸ PIK3CA P42336 7/20 0.64
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KDM1A O60341 1/20 0.47
▸ RCOR1 Q9UKL0 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PIN1 Q13526 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL13941569 0.83 EGFR (0.66) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL13941369 0.83 EGFR (0.66) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL15478841 0.79 EGFR (1.00) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL13985114 0.77 MAPT (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13941381 0.74 EGFR (0.52) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL19476163 0.73 NPC1 (0.78) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL13941708 0.73 EGFR (0.52) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL8769590 0.73 NPC1 (0.82) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL11719988 0.73 EGFR (0.63) EGFRPIK3CANPC1RAB9ALMNA
SCHEMBL7208136 0.73 NPC1 (1.00) EGFRPIK3CANPC1RAB9ALMNA

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-2155675-B1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS INC (US) 2014-02-19 — — EP disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 — — WO disclosed
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