SCHEMBL7913253

SCHEMBL7913253

CC1=CN2C=C(Cc3ccc(N)cc3)C=C(c3cccc(Cl)c3)C2N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33
IKBKE Q14164 1/20 0.32
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGR P06401 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL7915334 0.87 DHFR (0.32) TAAR1IKBKESTK4STK3LRRK2
SCHEMBL7902988 0.83 GRIN1 (0.32) LMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL7913175 0.82 MAOB (0.33) MAOBTAAR1IKBKESTK4STK3
SCHEMBL7910125 0.82 PGR (0.34) IKBKEALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL7902852 0.81 NPC1 (0.34) STK4STK3LRRK2MAPTSMN1; SMN2
SCHEMBL7917010 0.80 MAOB (0.33) MAOBTAAR1IKBKESTK4STK3
SCHEMBL7902845 0.80 PIM1 (0.31)
SCHEMBL7916997 0.76 JAK2 (0.35) ALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL7929296 0.76 DYRK3 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7913037 0.75 SLC6A3 (0.35) ALDH1A1LMNAMAPTALOX12PGR

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-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed