SCHEMBL31658331

SCHEMBL31658331

COc1cnc(Cl)cc1-c1ccnc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 2/20 0.47
RORC P51449 1/20 0.47
S1PR1 P21453 1/20 0.45
AAK1 Q2M2I8 4/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
DHFR P00374 1/20 0.42
DYRK1A Q13627 1/20 0.42
IDO1 P14902 1/20 0.41
POLQ O75417 2/20 0.40
PDE10A Q9Y233 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACVR2A P27037 1/20 0.36
TGFBR2 P37173 1/20 0.36

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
SCHEMBL30640054 0.89 DYRK1A (0.47) RORBRORCS1PR1AAK1DHFR
SCHEMBL31658358 0.84 CSNK1D (0.43) RORBRORCS1PR1AAK1DHFR
SCHEMBL31658384 0.84 RORB (0.39) RORBRORCS1PR1AAK1CYP1A1
SCHEMBL31658421 0.84 DHFR (0.39) RORBRORCS1PR1AAK1DHFR
SCHEMBL1094323 0.82 TNIK (0.50) RORBRORCS1PR1AAK1CYP1A1
SCHEMBL31658394 0.81 KDM4E (0.44) RORBRORCS1PR1AAK1DHFR
SCHEMBL12268828 0.80 RORB (0.56) RORBRORCS1PR1AAK1KDM4E
SCHEMBL2370570 0.80 RORB (0.47) RORBRORCS1PR1CYP1A1CYP1B1
SCHEMBL30630871 0.80 PDGFRB (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL27440493 0.80 PDGFRB (0.49) KDM4EALDH1A1SMN1; SMN2

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
EP-4585599-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-07-16 EP disclosed