SCHEMBL1720377

SCHEMBL1720377

O=c1[nH]c(Cl)nc2nc(CCCc3ccc(NCc4cccc(F)c4)nc3)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 18/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 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
SCHEMBL1720374 0.70 STIM1 (0.43) CCNT1STIM1ORAI1
Hydrochloric Acid SCHEMBL17186536 0.65 PNP (0.58)
SCHEMBL2686641 0.65 ADORA2B (0.49) CCNT1STIM1ORAI1
SCHEMBL23860286 0.64 TLR7 (0.34)
SCHEMBL1720832 0.64 ADORA2B (0.37)
Hydrochloric Acid SCHEMBL17186548 0.63 PNP (0.54)
SCHEMBL9234446 0.63 PNP (0.72)
SCHEMBL27304412 0.61 NTRK1 (0.61) CCNT1STIM1ORAI1
SCHEMBL1867614 0.61 HCAR2 (0.51)
SCHEMBL1192525 0.60 BRAF (0.53) CCNT1STIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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