SCHEMBL29173404

SCHEMBL29173404

CNc1nc(Nc2ccc(N3CCOCC3)cc2)cnc1-c1cncc2c1ncn2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ IGF1R P08069 3/20 0.39
▸ BRAF P15056 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ PLK4 O00444 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ YES1 P07947 2/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ HIPK1 Q86Z02 2/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL29173418 0.89 MAPK10 (0.38) MAPK10FGFR1SRCBRAFSYK
SCHEMBL31577214 0.87 PIK3CA (0.32) LRRK2
SCHEMBL29173356 0.86 MAPK10 (0.41) MAPK10FGFR1SRCIGF1RBRAF
SCHEMBL29173344 0.86 MAPK10 (0.41) MAPK10FGFR1SRCIGF1RBRAF
SCHEMBL30205973 0.86 MAPK10 (0.41) MAPK10FGFR1SRCIGF1RBRAF
SCHEMBL30206253 0.86 JAK2 (0.41) MAPK10FGFR1SRCIGF1RBRAF
SCHEMBL31577219 0.85 HTR3A (0.30) —
SCHEMBL29173667 0.85 MAPK10 (0.41) MAPK10FGFR1SRCIGF1RSYK
SCHEMBL31577217 0.85 FLT3 (0.33) SYKLRRK2
SCHEMBL29173582 0.83 PIM1 (0.41) IGF1RSYKMAPK1ABL1NTRK1

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-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 — — CN disclosed
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