Sugi Predict

Sugi Predict / Compounds / SCHEMBL4362893

SCHEMBL4362893

SCHEMBL4362893

O=C(Nc1nc2ccccc2s1)N(CC[AsH2])CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 16/20 0.68
▸ CSNK1D P48730 3/20 0.58
▸ NCS1 P62166 1/20 0.58
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49

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
SCHEMBL2430770 0.90 CASR (0.69) CASRCSNK1DNCS1
SCHEMBL2432067 0.90 CASR (0.69) CASRCSNK1DNCS1ADORA2AADORA1
SCHEMBL2429969 0.89 CASR (0.68) CASRCSNK1DNCS1
SCHEMBL3644521 0.89 CASR (0.68) CASRCSNK1DNCS1
SCHEMBL128460 0.88 CASR (0.67) CASRCSNK1DNCS1
SCHEMBL2432216 0.87 CASR (0.66) CASRCSNK1DNCS1
SCHEMBL2430407 0.87 CASR (0.66) CASRCSNK1DNCS1
SCHEMBL4037795 0.87 CASR (0.66) CASRCSNK1DNCS1
SCHEMBL2431238 0.86 CASR (0.65) CASRCSNK1DNCS1
SCHEMBL4038262 0.86 CASR (0.65) CASRCSNK1DNCS1

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-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 — — EP disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 — — WO disclosed