SCHEMBL22828946

SCHEMBL22828946

NC(=S)c1cccnc1.Nc1ncnc2c1ncn2OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.53
▸ SRC P12931 2/20 0.53
▸ KDR P35968 1/20 0.53
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ CHKA P35790 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ ADORA1 P30542 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ DNPH1 O43598 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ TRPM2 O94759 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ P2RY1 P47900 1/20 0.36

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
Niacinamide SCHEMBL27733580 0.84 EGFR (0.52) EGFRSRCKDRPI4KAPI4K2B
SCHEMBL283730 0.82 FGFR1 (0.51) SRCPI4KAPI4K2BPI4K2API4KB
SCHEMBL1271540 0.78 EGFR (0.61) EGFRSRCKDRPI4KAPI4K2B
Acetone SCHEMBL28162073 0.77 CYP3A4 (0.47) SRCPI4KAPI4K2BPI4K2API4KB
Furan SCHEMBL28181037 0.76 FGFR1 (0.44) SRCFGFR1SLC22A6ADORA1CYP3A4
Adenine SCHEMBL22828945 0.74 EGFR (0.41) EGFRSRCKDRPI4KAPI4K2B
Niacinamide SCHEMBL22748485 0.74 EGFR (0.65) EGFRSRCKDRPI4KAPI4K2B
SCHEMBL27721221 0.72 FGFR1 (0.47) SRCFGFR1SLC22A6ADORA1CYP3A4
SCHEMBL1035726 0.72 ENPP1 (0.51) SRCFGFR1SLC22A6CYP3A4P2RY2
SCHEMBL21066915 0.72 EGFR (0.65) EGFRSRCKDRPI4KAPI4K2B

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
EP-3199639-B1 NOVEL MEASUREMENT METHOD USING KINASE, AND COMPOSITION ASAHI KASEI PHARMA CORP (JP) 2020-12-30 — — EP claimed
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