SCHEMBL22013287

SCHEMBL22013287

CCCC(=O)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.47
CYP2C19 P33261 1/20 0.43
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR2 O95136 1/20 0.39
STS P08842 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
ALOX5 P09917 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 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
SCHEMBL27665083 0.83 S1PR2 (0.42) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1TDP1
SCHEMBL31224881 0.77 GSK3B (0.50) CYP2C19ALDH1A1TDP1S1PR2RAB9A
SCHEMBL9417188 0.76 ESR1 (0.53) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27417494 0.75 S1PR2 (0.42) CYP2C19HPGDALDH1A1TDP1S1PR2
SCHEMBL6226655 0.75 GSK3B (0.52) CYP2C19ALDH1A1TDP1S1PR2MAPT
SCHEMBL9417154 0.74 ESR1 (0.51) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9722617 0.73 S1PR2 (0.41) CYP2C19ALDH1A1TDP1S1PR2MEN1
SCHEMBL19137592 0.73 HSD17B3 (0.44) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5570090 0.72 HSD17B3 (0.52) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11899972 0.72 NAPRT (0.56) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880676-B1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER (US) 2023-08-02 EP disclosed
WO-2021220185-A1 AZALACTAM COMPOUNDS AS HPK1 INHIBITORS PFIZER INC. (US) 2021-11-04 WO disclosed
WO-2020100027-A1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER INC. (US) 2020-05-22 WO disclosed