SCHEMBL24944201

SCHEMBL24944201

CN1c2ccc(Nc3nc(C4CC4)c(-c4cncc5c4ncn5C)nc3C(N)=O)cc2C[S+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.37
▸ SYK P43405 3/20 0.35
▸ EML4 Q9HC35 15/20 0.34
▸ ALK Q9UM73 15/20 0.34
▸ RET P07949 6/20 0.34
▸ ROS1 P08922 6/20 0.34
▸ FLT3 P36888 6/20 0.34
▸ BMPR1B O00238 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ CIT O14578 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ GAK O14976 1/20 0.32
▸ EPHB6 O15197 1/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ SNRNP200 O75643 1/20 0.32
▸ STK16 O75716 1/20 0.32
▸ STK10 O94804 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ LATS1 O95835 1/20 0.32

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
SCHEMBL24944214 0.89 EML4 (0.35) EGFRSYKEML4ALKRET
SCHEMBL30205577 0.86 CCNC (0.39) EGFRSYKEML4ALKRET
SCHEMBL24944200 0.86 CCNC (0.39) EGFRSYKEML4ALKRET
SCHEMBL24944481 0.83 SYK (0.35) EGFRSYKEML4ALKRET
SCHEMBL30205581 0.83 SYK (0.35) EGFRSYKEML4ALKRET
SCHEMBL30206095 0.82 SYK (0.36) SYKEML4ALK
SCHEMBL24944451 0.82 SYK (0.36) SYKEML4ALK
SCHEMBL30206104 0.82 BTK (0.37) EGFRSYKEML4ALKRET
SCHEMBL24944415 0.82 BTK (0.37) EGFRSYKEML4ALKRET
SCHEMBL24943844 0.81 CAMK2D (0.41) EGFREML4ALKAURKACDK2

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
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 — — WO disclosed
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