SCHEMBL23732500

SCHEMBL23732500

Cc1ccc(-c2cnc(N)c(C)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.50
NOS1 P29475 1/20 0.48
ACVR2A P27037 1/20 0.47
TGFBR2 P37173 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42

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
SCHEMBL2681285 0.85 SMN1; SMN2 (0.51) ATRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL23732523 0.82 RAB9A (0.48) ATRTP53MAPTKDM4EALDH1A1
SCHEMBL12198422 0.81 ATR (0.48) ATRNOS1ACVR2ATGFBR2MEN1
SCHEMBL23732810 0.81 KCNH2 (0.46) ATRALOX5APFEN1LTA4H
SCHEMBL15308507 0.80 KCNH2 (0.60) ATR
SCHEMBL15308477 0.79 MAP4K4 (0.49) ATRTP53MAPTCYP1A2MCL1
SCHEMBL23732813 0.78 ATR (0.48) ATRNOS1ACVR2ATGFBR2KDM4E
SCHEMBL12198431 0.78 ATR (0.56) ATRMEN1KMT2AKDM4EPOLB
SCHEMBL20848406 0.77 ATR (0.44) ATRALOX5APFEN1
SCHEMBL18895999 0.76 ATR (0.64) ATRACVR2ATGFBR2

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-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed