SCHEMBL19664612

SCHEMBL19664612

Cc1ccc(-c2cnc(NCC(C)(C)O)nc2)cc1Nc1nccc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 16/20 0.47
▸ IDH2 P48735 3/20 0.46
▸ IDH1 O75874 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TTK P33981 1/20 0.41

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
SCHEMBL19664606 0.83 IDH2 (0.50) SYKIDH2IDH1ABCB11ADORA3
SCHEMBL16778136 0.82 SYK (0.60) SYK
SCHEMBL19664596 0.81 SYK (0.44) SYK
SCHEMBL19664623 0.79 SYK (0.45) SYK
SCHEMBL19664602 0.78 SYK (0.48) SYK
SCHEMBL16737592 0.74 SYK (0.60) SYK
SCHEMBL21004550 0.73 SYK (0.49) SYK
SCHEMBL19553899 0.72 SYK (0.55) SYK
SCHEMBL16737452 0.71 SYK (0.61) SYK
SCHEMBL16778167 0.69 SYK (0.60) SYK

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
EP-2863915-B1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-12-06 — — EP claimed
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