SCHEMBL13075054

SCHEMBL13075054

CC1=C(c2cnccc2-c2nc3cc(C(F)(F)F)ccc3n2C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE10A Q9Y233 4/20 0.43
▸ PDE2A O00408 3/20 0.43
▸ PDE7A Q13946 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ KIT P10721 2/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ AGPAT2 O15120 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR3E A5X5Y0 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
SCHEMBL356013 0.85 PDE10A (0.58) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL167106 0.84 PDE10A (0.46) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL4401183 0.84 PDE10A (0.46) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL4400124 0.83 PDE10A (0.45) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL169419 0.83 AGPAT2 (0.48) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL169465 0.81 POLB (0.55) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL168094 0.81 PDE10A (0.43) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL169484 0.81 PDE10A (0.46) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL10284936 0.81 PDE10A (0.43) POLBSMN1; SMN2PDE10APDE2APDE7A
SCHEMBL354647 0.80 POLB (0.45) POLBSMN1; SMN2PDE10APDE2APDE7A

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-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 — — WO disclosed
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