SCHEMBL29099643

SCHEMBL29099643

COC(=O)c1ccn(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.40
JMJD6 Q6NYC1 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NR4A2 P43354 1/20 0.38
CYP1A2 P05177 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7515477 0.80 JMJD6 (0.53) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL26108944 0.75 KMT2A (0.43) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL30703365 0.74 JMJD6 (0.48) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL10133288 0.74 ALDH1A1 (0.63) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL1431340 0.74 KMT2A (0.44) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL25007588 0.74 NPC1 (0.44) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL9682529 0.74 ALDH1A1 (0.67) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL568799 0.73 KMT2A (0.43) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL20189189 0.73 SCN4A (0.46) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL24423465 0.73 KMT2A (0.43) KMT2ANPC1RAB9AMEN1POLB

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
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed