SCHEMBL25475233

SCHEMBL25475233

Cc1n[nH]c2nc(N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.50
ADORA2A P29274 2/20 0.50
NOS3 P29474 2/20 0.43
NOS2 P35228 2/20 0.43
NOS1 P29475 1/20 0.43
CA5A P35218 1/20 0.42
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 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
SCHEMBL32683505 1.00 ADORA1 (0.50) ADORA1ADORA2ANOS3NOS2NOS1
SCHEMBL31207340 0.81 ADORA1 (0.46) ADORA1ADORA2ACA5AGAAKMT2A
SCHEMBL11975949 0.80 HSD17B10 (0.38) ADORA1ADORA2AGAAKMT2ALMNA
SCHEMBL7926347 0.79 ADORA1 (0.48) ADORA1ADORA2AGAAKMT2AKDM4E
SCHEMBL16752186 0.76 ADORA1 (0.39) ADORA1ADORA2AGAAKMT2ATSHR
SCHEMBL3150981 0.76 ADORA2A (0.38) ADORA1ADORA2AGAAKMT2ATSHR
SCHEMBL20916782 0.74 MAPK13 (0.47) ADORA1ADORA2ACA5AMAPK13MAPK12
SCHEMBL31512175 0.73 CLK1 (0.46) ADORA1ADORA2AKMT2ANPC1RAB9A
SCHEMBL4565224 0.72 ADORA1 (0.42) ADORA1ADORA2ACA5AGABRPGABRD
SCHEMBL493663 0.71 ADORA1 (0.41) ADORA1ADORA2ACA5AGABRPGABRD

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-4426688-B1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA LTD (GB) 2025-12-03 EP disclosed
WO-2023079291-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2023-05-11 WO disclosed