SCHEMBL7706419

SCHEMBL7706419

CCc1nc2nc(C)cc(N(CC)CC)n2n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.44
TP53 P04637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CREBBP Q92793 1/20 0.43
TSHR P16473 1/20 0.42
CRHR1 P34998 4/20 0.41
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10911368 0.88 CYP1A2 (0.55) CYP1A2LMNAMAPK1RECQLALDH1A1
SCHEMBL23875141 0.81 CYP1A2 (0.57) CYP1A2LMNAMAPK1RECQLALDH1A1
SCHEMBL10339386 0.80 KDM4E (0.49) CYP1A2LMNAMAPK1RECQLALDH1A1
SCHEMBL15807121 0.80 RECQL (0.76) CYP1A2RECQLALDH1A1HTTTP53
SCHEMBL10948671 0.77 MAPT (0.47) CYP1A2LMNAMAPK1ALDH1A1MAPT
SCHEMBL16199705 0.76 RECQL (0.54) CYP1A2RECQLALDH1A1HTTTP53
SCHEMBL1681530 0.76 RECQL (0.54) CYP1A2MAPK1RECQLALDH1A1HTT
SCHEMBL1681608 0.76 RECQL (0.54) CYP1A2RECQLALDH1A1HTTTP53
SCHEMBL10986775 0.75 MAPT (0.59) CYP1A2LMNAMAPK1ALDH1A1MAPT
SCHEMBL11226340 0.74 TSHR (0.46) CYP1A2LMNAMAPK1RECQLALDH1A1

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-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US disclosed