SCHEMBL13680554

SCHEMBL13680554

COC(=O)c1ccc(-c2cccc(C)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DYRK1A Q13627 1/20 0.49
CYP2A6 P11509 1/20 0.47
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
HPGD P15428 1/20 0.44
TGFBR1 P36897 2/20 0.43
LCK P06239 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL13680471 0.81 TDP1 (0.50) GRM5MEN1KMT2ACYP2A6CCR1
SCHEMBL24581364 0.81 CCR1 (0.55) GRM5MEN1KMT2ACCR1CCR8
SCHEMBL1298969 0.80 GRM5 (0.58) GRM5MAPK1DYRK1ACYP2A6TGFBR1
SCHEMBL28763899 0.78 ALDH1A1 (0.52) MAPK1MEN1KMT2ADYRK1AHPGD
SCHEMBL13680851 0.78 MAPK1 (0.43) GRM5MAPK1DYRK1AHPGDPDE10A
SCHEMBL13680499 0.78 MAPK1 (0.51) MAPK1MEN1KMT2ADYRK1AKDM4E
SCHEMBL13680669 0.78 GRM5 (0.49) GRM5MEN1KMT2ACYP2A6CCR1
SCHEMBL11041168 0.78 MAPK1 (0.59) MAPK1MEN1KMT2ADYRK1AKDM4E
SCHEMBL13680584 0.77 GABRG2 (0.53) GRM5MAPK1CYP2A6CCR1CCR8
SCHEMBL118090 0.77 P2RX7 (0.59) GRM5MAPK1MEN1KMT2AKDM4E

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed