SCHEMBL24670085

SCHEMBL24670085

NCc1ccc2nc(CCO)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.63
UBE2N P61088 1/20 0.63
IDO1 P14902 1/20 0.51
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
PKM P14618 4/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 2/20 0.48
GFER P55789 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.43

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
SCHEMBL24670060 0.88 RAD52 (0.59) RAD52UBE2NIDO1KMT2AMAPT
SCHEMBL7072252 0.78 RAD52 (0.59) RAD52UBE2NIDO1MAPTPKM
SCHEMBL22361963 0.78 TDP1 (0.76) RAD52IDO1KMT2APKMTDP1
SCHEMBL31285595 0.78 TDP1 (0.76) RAD52IDO1KMT2APKMTDP1
SCHEMBL6159261 0.77 F2 (0.60) RAD52UBE2NMAPTPKMTDP1
SCHEMBL24345987 0.77 RAD52 (0.49) RAD52UBE2NIDO1PKMTDP1
SCHEMBL6159269 0.76 POLB (0.70) RAD52UBE2NKMT2AMAPTPKM
SCHEMBL12686275 0.75 PLAU (0.58) RAD52UBE2NKMT2AMAPTPKM
SCHEMBL1206200 0.74 RAD52 (0.51) RAD52UBE2NKMT2AMAPTPKM
Hydrochloric Acid SCHEMBL23201245 0.73 PLAU (0.56) RAD52UBE2NKMT2AMAPTPKM

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
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed