SCHEMBL15214830

SCHEMBL15214830

CC(=O)c1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(C(=O)CI)cc5)c-4ncnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.42
▸ FGFR1 P11362 12/20 0.39
▸ FGFR4 P22455 12/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ YTHDC1 Q96MU7 2/20 0.37
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ HDAC4 P56524 1/20 0.35

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
SCHEMBL12112215 0.93 HDAC6 (0.47) HDAC6FGFR1FGFR4HDAC1YTHDC1
SCHEMBL12112216 0.87 FGFR1 (0.43) HDAC6FGFR1FGFR4YTHDC1PDE4A
SCHEMBL12112160 0.82 PDE10A (0.48) HDAC6FGFR1FGFR4PDE4APDE4B
SCHEMBL15214761 0.82 FGFR1 (0.46) HDAC6FGFR1FGFR4HDAC1PDE4A
SCHEMBL13394148 0.81 SLC29A1 (0.47) HDAC6FGFR1FGFR4
SCHEMBL13394123 0.81 HDAC6 (0.43) HDAC6FGFR1FGFR4PDE4APDE4B
SCHEMBL16123784 0.80 SLC29A1 (0.46) HDAC6FGFR1FGFR4P2RX7
SCHEMBL12112177 0.79 PDE10A (0.44) HDAC6FGFR1FGFR4PDE4APDE4B
SCHEMBL12112214 0.79 PDE10A (0.44) HDAC6FGFR1FGFR4PDE4APDE4B
SCHEMBL15214751 0.79 PDE10A (0.51) HDAC6FGFR1FGFR4HDAC1

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
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
Send feedback