SCHEMBL29173642

SCHEMBL29173642

CNc1nc(Nc2ccc(OC(C)C)cc2)cnc1-c1cncc2c1ncn2C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.38
▸ BCDIN3D Q7Z5W3 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.33
▸ TTBK2 Q6IQ55 1/20 0.33
▸ SCN5A Q14524 5/20 0.32
▸ SCN9A Q15858 5/20 0.32
▸ KCNH2 Q12809 4/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ ADRA2A P08913 1/20 0.30
▸ GPR65 Q8IYL9 1/20 0.30
▸ IDH1 O75874 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
SCHEMBL31577254 0.84 HRH3 (0.37) —
SCHEMBL31577346 0.83 PDE5A (0.32) —
SCHEMBL31577223 0.82 MC4R (0.32) —
SCHEMBL30206336 0.81 SYK (0.36) SYKNPC1MAPTRAB9AKMT2A
SCHEMBL29173448 0.81 SYK (0.36) SYKNPC1MAPTRAB9AKMT2A
SCHEMBL24944970 0.81 LCK (0.40) SYKBCDIN3DTTBK1TTBK2IDH1
SCHEMBL31577214 0.81 PIK3CA (0.32) —
SCHEMBL29173404 0.80 MAPK10 (0.40) SYKMAPT
SCHEMBL31577202 0.80 CDK1 (0.37) —
SCHEMBL31577209 0.80 WEE1 (0.35) —

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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