SCHEMBL22201293

SCHEMBL22201293

Clc1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.44
P2RX3 P56373 5/20 0.37
ADORA3 P0DMS8 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
SLC2A1 P11166 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
KDR P35968 2/20 0.34
EPHB4 P54760 2/20 0.34
EPHA2 P29317 1/20 0.34
ROCK2 O75116 1/20 0.34
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL22201305 0.89 SYK (0.44) SYKP2RX3MEN1KMT2AUBE2M
SCHEMBL22201302 0.89 SYK (0.44) SYKP2RX3MEN1KMT2AUBE2M
SCHEMBL22201304 0.88 SYK (0.43) SYKP2RX3MEN1KMT2AUBE2M
SCHEMBL22201292 0.87 SYK (0.42) SYKUBE2MDCUN1D1TP53KDR
SCHEMBL22201245 0.87 SYK (0.42) SYKP2RX3MEN1KMT2ASLC2A1
SCHEMBL22201404 0.86 P2RX3 (0.38) P2RX3ADORA3MEN1KMT2AKDR
SCHEMBL22201368 0.86 SYK (0.45) SYKP2RX3ADORA3MEN1KMT2A
SCHEMBL22201306 0.85 SYK (0.41) SYKP2RX3KMT2AUBE2MDCUN1D1
SCHEMBL22201288 0.85 ABL1 (0.39) P2RX3MEN1KMT2AALDH1A1KDR
SCHEMBL22201286 0.81 P2RX3 (0.40) SYKP2RX3ADORA3TP53ALDH1A1

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed