SCHEMBL13437809

SCHEMBL13437809

CNc1cc(C)nc2ccncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.54
GFER P55789 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NQO2 P16083 2/20 0.39
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NCF1 P14598 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 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
SCHEMBL12653338 0.86 TERT (0.50) TERTL3MBTL1
SCHEMBL10266503 0.82 NR4A2 (0.48) TERTGFERCYP2C19L3MBTL1KDM4E
SCHEMBL20553218 0.81 CHUK (0.41) TERTKDM4CCYP2C19KDM4EAOC1
SCHEMBL17453169 0.78 CYP1A2 (0.57) TERTGFERCYP2C19KDM4EALDH1A1
SCHEMBL1238925 0.77 CYP1A2 (0.60) TERTCYP2C19L3MBTL1CYP1A2MEN1
SCHEMBL24175000 0.75 NCF1 (0.59) TERTKDM4EALDH1A1CYP1A2MEN1
SCHEMBL22956798 0.75 CYP1A2 (0.40) TERTGFERCYP2C19ALDH1A1CYP1A2
SCHEMBL29324754 0.74 CYP1A2 (0.39) TERTGFERL3MBTL1CYP1A2NCF1
SCHEMBL6615983 0.74 TERT (0.59) TERTL3MBTL1KDM4EALDH1A1GLA
SCHEMBL18878996 0.73 AOC1 (0.42) KDM4CAOC1AOC3

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
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed