SCHEMBL24944782

SCHEMBL24944782

CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 9/20 0.49
▸ ROS1 P08922 9/20 0.49
▸ FLT3 P36888 9/20 0.49
▸ EML4 Q9HC35 7/20 0.49
▸ ALK Q9UM73 7/20 0.49
▸ SYK P43405 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ AURKA O14965 2/20 0.44
▸ CCNA2 P20248 2/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ LCK P06239 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CCNA1 P78396 1/20 0.42

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
SCHEMBL24944209 0.93 SYK (0.44) RETROS1FLT3EML4ALK
SCHEMBL30205569 0.93 SYK (0.44) RETROS1FLT3EML4ALK
SCHEMBL24943791 0.93 EML4 (0.48) RETROS1FLT3EML4ALK
SCHEMBL24944210 0.91 RET (0.40) RETROS1FLT3EML4ALK
SCHEMBL30205535 0.91 EML4 (0.51) RETROS1FLT3EML4ALK
SCHEMBL24944460 0.91 EML4 (0.51) RETROS1FLT3EML4ALK
SCHEMBL24944378 0.90 EML4 (0.46) RETROS1FLT3EML4ALK
SCHEMBL24943840 0.88 IKBKE (0.46) RETROS1FLT3EML4ALK
SCHEMBL30205589 0.88 IKBKE (0.46) RETROS1FLT3EML4ALK
SCHEMBL24943812 0.87 IKBKE (0.38) RETROS1FLT3EML4ALK

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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