SCHEMBL26670641

SCHEMBL26670641

COc1cc(C)nc(Br)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GPR35 Q9HC97 1/20 0.41
POLB P06746 2/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL31507314 1.00 ALDH1A1 (0.43) ALDH1A1LCKFYNMAPK1SMN1; SMN2
SCHEMBL26670660 0.86 POLB (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL27611644 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL3723790 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2KMT2AKDM4E
SCHEMBL6262091 0.80 SMN1; SMN2 (0.38) ALDH1A1MAPK1SMN1; SMN2CA9MEN1
SCHEMBL23583482 0.79 ALDH1A1 (0.66) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL29198823 0.76 POLQ (0.43) ALDH1A1LCKFYNCA12CA1
SCHEMBL31128181 0.74 NQO2 (0.41) ALDH1A1L3MBTL1HPGDPOLB
SCHEMBL20564431 0.74 CA12 (0.57) ALDH1A1LCKFYNMAPK1SMN1; SMN2
SCHEMBL27606177 0.72 POLB (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD

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
EP-4532486-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-04-09 EP disclosed
WO-2023230477-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2023-11-30 WO disclosed