SCHEMBL1720580

SCHEMBL1720580

CCCn1c(Cl)nc(=O)c2c1N=C(c1ccc(NCc3cccc(C(F)(F)F)c3)nc1)[N]2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.38
EGFR P00533 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
ADORA1 P30542 2/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
VNN1 O95497 1/20 0.36
CCNT1 O60563 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL1720825 0.90 STIM1 (0.43) CCNT1
SCHEMBL1727143 0.88 ADORA2B (0.41) SCDEGFRKCNN3ADORA3ADORA2A
SCHEMBL2687202 0.77 ADORA2B (0.51) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1720325 0.74 ADORA3 (0.42) SCDEGFRADORA3ADORA2AADORA2B
SCHEMBL2686174 0.73 ADORA2B (0.66) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1721091 0.69 ADORA1 (0.43) ADORA2AADORA2BADORA1GRIN1GRIN2B
SCHEMBL1724494 0.68 ADORA2B (0.46) SCDADORA3ADORA2AADORA2BADORA1
SCHEMBL2686641 0.66 ADORA2B (0.49) ADORA3ADORA2AADORA2BADORA1CCNT1
SCHEMBL1865267 0.65 ADORA1 (0.44) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1721383 0.64 ADORA2B (0.37) ADORA2BADORA1GRIN1GRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727391-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER Impetis Biosciences Ltd. (IN) 2020-10-28 EP claimed
EP-3727391-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER Impetis Biosciences Ltd. (IN) 2020-10-28 EP disclosed
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO disclosed