SCHEMBL16635772

SCHEMBL16635772

CNCc1nc(N)c2cccn2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
EGFR P00533 1/20 0.35
PIK3CD O00329 3/20 0.32
PIK3R1 P27986 3/20 0.32
ADCY10 Q96PN6 1/20 0.32
TGFBR1 P36897 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
TLR7 Q9NYK1 2/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL30280494 0.79 MAP4K4 (0.41) MAP4K4EGFRTLR7
SCHEMBL30980419 0.74 ADORA3 (0.48) MAP4K4PIK3CDADCY10PIK3CB
SCHEMBL5080208 0.73 MAP4K4 (0.47) MAP4K4EGFRPIK3CDPIK3R1TGFBR1
SCHEMBL31010615 0.73 MAP4K4 (0.36) MAP4K4EGFRTLR7
SCHEMBL807452 0.72 MAP4K4 (0.50) MAP4K4EGFRPIK3CDPIK3R1ADCY10
SCHEMBL30997410 0.72 MAP4K4 (0.41) MAP4K4EGFRTGFBR1PIK3CA
SCHEMBL30989127 0.69 MAP4K4 (0.47) MAP4K4EGFRPIK3CDPIK3R1ADCY10
SCHEMBL29350296 0.69 MAP4K4 (0.47) MAP4K4EGFRPIK3CDPIK3R1ADCY10
SCHEMBL807453 0.69 MAP4K4 (0.47) MAP4K4EGFRPIK3CDPIK3R1TGFBR1
SCHEMBL12314541 0.69 MAP4K4 (0.47) MAP4K4EGFRPIK3CDPIK3R1ADCY10

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-3054955-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-08-17 EP claimed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 WO claimed