SCHEMBL7686053

SCHEMBL7686053

Cc1c(F)c(F)nc(C(C)Nc2cccc(C#N)c2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
CDC7 O00311 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
SLC2A1 P11166 2/20 0.37
LRRK2 Q5S007 1/20 0.37
EGFR P00533 1/20 0.37
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
TGFBR1 P36897 1/20 0.35
ABCC9 O60706 1/20 0.35

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
SCHEMBL6576366 0.77 SYK (0.61) SYKCDC7ABCG2SLC2A1EGFR
SCHEMBL6578695 0.74 NOS1 (0.46) SYKCDC7NPC1RAB9ASMN1; SMN2
SCHEMBL7686057 0.73 SYK (0.42) SYKCDC7NPC1RAB9ASMN1; SMN2
SCHEMBL11957643 0.70 ABCC9 (0.50) NPC1RAB9ASMN1; SMN2ABCG2CTSL
SCHEMBL6580563 0.70 ADORA2A (0.46)
SCHEMBL6578904 0.67 F10 (0.52)
SCHEMBL6578699 0.66 F2 (0.50) SYKABCG2ALDH1A1
SCHEMBL7686054 0.64 MAPT (0.37) LRRK2CTSKALDH1A1MAPT
SCHEMBL6576962 0.64 F10 (0.64) SYKCDC7ABCG2SLC2A1EGFR
SCHEMBL7406589 0.64 KMT2A (0.51) NPC1RAB9ASMN1; SMN2CTSLCTSB

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-6465459-B2 INHIBIT THE ENZYME, FACTOR XA BERLEX LABORATORIES, INC. 2002-10-15 US disclosed