SCHEMBL5019708

SCHEMBL5019708

Cn1nnc(N2CCC(Cl)=C(c3ccc(NC(=O)c4ccncc4F)cc3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
CRACR2A Q9BSW2 4/20 0.40
CSNK1D P48730 3/20 0.40
CSNK1E P49674 3/20 0.40
TRPC1 P48995 1/20 0.40
TRPC3 Q13507 1/20 0.40
ABL1 P00519 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.36
NR3C1 P04150 3/20 0.35
PTPN11 Q06124 1/20 0.34
AXL P30530 1/20 0.34
SLC10A1 Q14973 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
SCHEMBL5019611 0.91 RAB9A (0.37) L3MBTL1KMT2APTPN11
SCHEMBL986998 0.91 STIM1 (0.42) STIM1ORAI1CRACR2ACSNK1DCSNK1E
SCHEMBL5019613 0.89 CSNK1D (0.38) CSNK1DCSNK1EL3MBTL1NR3C1PTPN11
SCHEMBL1782420 0.84 IL2 (0.41) STIM1ORAI1KMT2A
SCHEMBL1781495 0.84 RAB9A (0.38) L3MBTL1KMT2ANR3C1PTPN11
SCHEMBL1781986 0.82 IL2 (0.46)
SCHEMBL5019605 0.82 L3MBTL1 (0.35) L3MBTL1KMT2APTPN11
SCHEMBL5019639 0.81 IL2 (0.40) STIM1ORAI1KMT2ASLC10A1
SCHEMBL4561040 0.80 KMT2A (0.35) STIM1ORAI1L3MBTL1KMT2ANR3C1
SCHEMBL5019765 0.80 CSNK1D (0.37) CSNK1DCSNK1EL3MBTL1PTPN11

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed