SCHEMBL14619098

SCHEMBL14619098

C/C=C(\CN(C)C)NCc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 4/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ITGB1 P05556 5/20 0.40
▸ ITGA5 P08648 5/20 0.40
▸ PPID Q08752 4/20 0.39
▸ PPIG Q13427 2/20 0.39
▸ PPIA P62937 1/20 0.39
▸ ITGB3 P05106 4/20 0.38
▸ ITGAV P06756 4/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ TPSAB1 Q15661 1/20 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
SCHEMBL14100114 0.78 TPSAB1 (0.50) PPIBEPHX2PPIDPPIGPPIA
SCHEMBL14619100 0.78 PPIB (0.43) PPIBEPHX2ITGB1ITGA5PPID
SCHEMBL23116511 0.70 PPIB (0.44) PPIBEPHX2ITGB1ITGA5PPID
SCHEMBL1800569 0.67 KMT2A (0.63) PPIBEPHX2ITGB1ITGA5PPID
SCHEMBL15939528 0.66 PPID (0.65) PPIBEPHX2PPIDPPIGPPIA
SCHEMBL258716 0.66 CYP2C9 (0.62) PPIBEPHX2ITGB1ITGA5PPID
SCHEMBL15940349 0.66 ALOX12 (0.65) LMNA
Hydrochloric Acid SCHEMBL10744056 0.66 KMT2A (0.61) PPIBEPHX2ITGB1ITGA5PPID
SCHEMBL13562878 0.66 PPIB (0.41) PPIBEPHX2ITGB1ITGA5PPID
SCHEMBL6881708 0.65 EPHX2 (0.45) PPIBEPHX2PPIDPPIGPPIA

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
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — WO disclosed
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