SCHEMBL27975780

SCHEMBL27975780

Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc(CN)cc2)c2c(N)ncnc21

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 18/20 0.87
EIF2AK2 P19525 2/20 0.79
EIF2AK1 Q9BQI3 2/20 0.79
RIPK1 Q13546 5/20 0.76
NTRK1 P04629 1/20 0.76
CYP1A2 P05177 1/20 0.76
LCK P06239 1/20 0.76
YES1 P07947 1/20 0.76
RET P07949 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C8 P10632 1/20 0.76
CYP2D6 P10635 1/20 0.76
KIT P10721 1/20 0.76
CYP2C9 P11712 1/20 0.76
AXL P30530 1/20 0.76
CYP2C19 P33261 1/20 0.76
NEK4 P51957 1/20 0.76
MAP3K9 P80192 1/20 0.76
MAP3K10 Q02779 1/20 0.76
MERTK Q12866 1/20 0.76

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
SCHEMBL28814384 0.95 EIF2AK3 (0.86) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL869470 0.93 EIF2AK3 (1.00) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL869045 0.92 EIF2AK3 (1.00) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL867997 0.92 EIF2AK3 (0.85) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL868476 0.90 EIF2AK3 (0.87) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL868894 0.89 EIF2AK3 (0.85) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL868503 0.89 EIF2AK3 (1.00) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL868646 0.89 EIF2AK3 (0.86) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL868920 0.89 EIF2AK3 (0.87) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1
SCHEMBL869419 0.88 EIF2AK3 (1.00) EIF2AK3EIF2AK2EIF2AK1RIPK1NTRK1

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
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN claimed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed