SCHEMBL1704401

SCHEMBL1704401

Cc1ccnc(-c2c(N)cc(N)nc2-c2ccnc(N3CCNCC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 5/20 0.52
DYRK1A Q13627 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKD1 Q15139 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
ATR Q13535 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
NMT1 P30419 8/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ADRB1 P08588 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
SCHEMBL901187 0.84 KARS1 (0.53) KARS1DYRK1APRKD3PRKD1PRKD2
SCHEMBL902121 0.76 KARS1 (0.50) KARS1DYRK1APRKD3PRKD1PRKD2
SCHEMBL30230278 0.74 ADRB1 (0.59) KARS1DYRK1AHRH3NMT1ADRB1
SCHEMBL1026043 0.74 ADRB1 (0.59) KARS1DYRK1AHRH3NMT1ADRB1
Hydrochloric Acid SCHEMBL31061151 0.73 ADRB1 (0.58) KARS1DYRK1AHRH3NMT1ADRB1
Hydrochloric Acid SCHEMBL20339443 0.73 ADRB1 (0.58) KARS1DYRK1AHRH3NMT1ADRB1
SCHEMBL16716464 0.71 SMO (0.60) KARS1DYRK1ANMT1TLR9TLR8
SCHEMBL10268986 0.71 KARS1 (0.75) KARS1PRKD1PRKD2
SCHEMBL12685317 0.70 KARS1 (0.60) KARS1DYRK1APRKD3PRKD1PRKD2
SCHEMBL26204494 0.69 NMT1 (0.55) 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 2 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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed