SCHEMBL902032

SCHEMBL902032

O=C1CN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)CCN1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.52
PIM1 P11309 3/20 0.43
PRKD1 Q15139 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38

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
SCHEMBL901708 0.88 KARS1 (0.66) KARS1PRKD1
SCHEMBL901736 0.81 KARS1 (0.51) KARS1PIM1PRKD1
SCHEMBL901702 0.81 KARS1 (0.51) KARS1
SCHEMBL901245 0.81 KARS1 (0.52) KARS1PIM1PRKD1
SCHEMBL901846 0.81 KARS1 (0.46) KARS1
SCHEMBL901301 0.80 KARS1 (0.46) KARS1PRKD1CDK4CDK6
SCHEMBL902716 0.80 KARS1 (0.46) KARS1PRKD1CDK4CDK6
SCHEMBL901860 0.79 KARS1 (0.46) KARS1PRKD1
SCHEMBL901890 0.78 KARS1 (0.45) KARS1
SCHEMBL901688 0.77 KARS1 (0.48) KARS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP claimed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed