SCHEMBL29520505

SCHEMBL29520505

COc1cnc(Cl)nc1-c1ccc2c(c1)ncn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
PRNP P04156 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
GRM5 P41594 1/20 0.39
PDK1 Q15118 4/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
NPC1 O15118 3/20 0.38

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
SCHEMBL29037825 1.00 MEN1 (0.42) MEN1POLBGAAKMT2APRNP
SCHEMBL29037718 0.84 NPC1 (0.41) POLBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29520533 0.84 NPC1 (0.41) POLBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29520361 0.83 TGFBR1 (0.40) GAAKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29037736 0.82 DYRK1A (0.44) POLBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29520298 0.82 NPC1 (0.39) POLBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29520550 0.82 DYRK1A (0.44) POLBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29037887 0.74 DYRK1A (0.52) NPC1RAB9ADYRK1ATGFBR1
SCHEMBL29520156 0.74 DYRK1A (0.52) NPC1RAB9ADYRK1ATGFBR1
SCHEMBL30917924 0.73 DYRK2 (0.48) SMN1; SMN2ALDH1A1KDM4EGLRA3GLRB

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 2 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
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