SCHEMBL902121

SCHEMBL902121

COc1cc(N)nc(-c2ccnc(N3CCNCC3)c2)c1-c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 10/20 0.50
ATR Q13535 2/20 0.42
PRKD3 O94806 2/20 0.42
PRKD1 Q15139 2/20 0.42
ZAP70 P43403 2/20 0.42
EGFR P00533 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
LCK P06239 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
DYRK1A Q13627 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
NMT1 P30419 2/20 0.40
PIM1 P11309 1/20 0.39

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 0.76 KARS1 (0.52) KARS1ATRPRKD3PRKD1DYRK1A
SCHEMBL901187 0.71 KARS1 (0.53) KARS1ATRPRKD3PRKD1DYRK1A
SCHEMBL1705644 0.70 PIM1 (0.41) KARS1PIM1PIM3PIM2
SCHEMBL1704904 0.69 KARS1 (0.68) KARS1ATRDYRK1ANMT1
SCHEMBL902386 0.69 KARS1 (0.75) KARS1PRKD1PRKD2
SCHEMBL1704290 0.68 KARS1 (0.62) KARS1ATRDYRK1ANMT1
SCHEMBL1704095 0.67 KARS1 (0.62) KARS1PRKD1PRKD2
SCHEMBL1704222 0.67 KARS1 (1.00) KARS1PRKD3PRKD1PRKD2
SCHEMBL16716464 0.65 SMO (0.60) KARS1DYRK1ANMT1
SCHEMBL2876435 0.64 NCF1 (0.58) DYRK1ANMT1

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 claimed