SCHEMBL901187

SCHEMBL901187

Cc1ccnc(-c2ccc(N)nc2-c2ccnc(N3CCNCC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 5/20 0.53
PRKD3 O94806 1/20 0.47
PRKD1 Q15139 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
DYRK1A Q13627 1/20 0.45
ATR Q13535 2/20 0.44
NMT1 P30419 7/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CYP1A2 P05177 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL1704401 0.84 KARS1 (0.52) KARS1PRKD3PRKD1PRKD2DYRK1A
SCHEMBL1704888 0.80 MEN1 (0.50) KARS1DYRK1AMAPK14
SCHEMBL901619 0.77 ADORA2B (0.58)
SCHEMBL30230278 0.75 ADRB1 (0.59) KARS1DYRK1ANMT1HRH3CYP1A2
SCHEMBL1026043 0.75 ADRB1 (0.59) KARS1DYRK1ANMT1HRH3CYP1A2
Hydrochloric Acid SCHEMBL31061151 0.74 ADRB1 (0.58) KARS1DYRK1ANMT1HRH3CYP1A2
Hydrochloric Acid SCHEMBL20339443 0.74 ADRB1 (0.58) KARS1DYRK1ANMT1HRH3CYP1A2
SCHEMBL12685317 0.73 KARS1 (0.60) KARS1PRKD3PRKD1PRKD2DYRK1A
Hydrochloric Acid SCHEMBL15286384 0.72 KARS1 (0.58) KARS1PRKD3PRKD1PRKD2DYRK1A
SCHEMBL16716464 0.72 SMO (0.60) KARS1DYRK1ANMT1TLR9TLR8

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-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed