SCHEMBL29520195

SCHEMBL29520195

CSc1ncc(Cl)c(C(=O)O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 2/20 0.46
ATM Q13315 1/20 0.44

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
SCHEMBL1533879 1.00 KMT2A (1.00) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL5192713 0.88 KMT2A (0.78) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL30168472 0.86 KMT2A (0.75) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL6039621 0.86 KMT2A (0.75) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL882666 0.86 KMT2A (0.75) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL15286480 0.84 KMT2A (0.73) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7968377 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL13689274 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4225491 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL13983041 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
CN-112004845-B Resin composition, laminate, semiconductor wafer with resin composition layer, substrate, and semiconductor device 三菱瓦斯化学株式会社 2022-05-31 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed