SCHEMBL22758512

SCHEMBL22758512

COC(=O)C1(c2ccnc(SC)n2)CCSCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ CCNT1 O60563 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ DYRK3 O43781 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PFKFB3 Q16875 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
SCHEMBL22758510 0.88 FFAR4 (0.36) FFAR4PIK3CACCNT1CCNA2CDK2
SCHEMBL21392151 0.85 FFAR4 (0.37) FFAR4PIK3CAALOX15
SCHEMBL24849318 0.83 FFAR4 (0.34) FFAR4PIK3CACCNT1CCNA2CDK2
SCHEMBL24848905 0.83 FFAR4 (0.34) FFAR4PIK3CACCNT1CCNA2CDK2
SCHEMBL24895767 0.78 FFAR4 (0.34) FFAR4PIK3CACCNT1CCNA2CDK2
SCHEMBL28944831 0.78 ATM (0.42) CCNA2CDK2ALOX15
SCHEMBL21373841 0.74 TRPV1 (0.36) P2RY1LMNAL3MBTL1
SCHEMBL22749259 0.72 OPRM1 (0.52) FFAR4
SCHEMBL22758556 0.70 FFAR4 (0.39) FFAR4LMNAALOX15
SCHEMBL21373824 0.69 IDO1 (0.35) LMNA

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-2020245664-A1 N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES STEP PHARMA S.A.S. (FR) 2020-12-10 — — WO disclosed
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