SCHEMBL27806089

SCHEMBL27806089

CC(OC=O)c1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cs1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.61
SYK P43405 1/20 0.40
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL1046645 0.85 ZAP70 (0.70) ZAP70SYKTTBK1TTBK2
SCHEMBL1049742 0.84 ZAP70 (0.69) ZAP70SYKTTBK1TTBK2
SCHEMBL1046622 0.83 ZAP70 (0.67) ZAP70SYKTTBK1TTBK2CYP1A1
SCHEMBL1046412 0.83 ZAP70 (0.67) ZAP70SYKCYP1A1CYP1A2CYP1B1
SCHEMBL27806093 0.82 ZAP70 (0.60) ZAP70SYKTTBK1TTBK2
SCHEMBL27826716 0.81 ZAP70 (0.65) ZAP70SYKTTBK1TTBK2
SCHEMBL1048405 0.80 ZAP70 (0.63) ZAP70SYKTTBK1TTBK2
SCHEMBL1047141 0.80 ZAP70 (0.79) ZAP70SYKCYP1A1CYP1A2CYP1B1
SCHEMBL1048533 0.79 ZAP70 (0.69) ZAP70SYKTTBK1TTBK2
SCHEMBL1049197 0.79 ZAP70 (0.60) ZAP70

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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN claimed