SCHEMBL1777837

SCHEMBL1777837

Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(=O)NC(C)(C)CO)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 1.00
IGF1R P08069 2/20 0.53
RIPK1 Q13546 15/20 0.51
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL1777661 0.93 SYK (0.86) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777291 0.93 SYK (0.86) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777734 0.88 SYK (0.79) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777104 0.87 SYK (0.77) SYKIGF1RRIPK1NPC1RAB9A
SCHEMBL14427642 0.86 SYK (0.76) SYKIGF1RRIPK1NPC1RAB9A
SCHEMBL1777627 0.86 SYK (0.75) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1776988 0.85 SYK (0.74) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777444 0.85 SYK (0.73) SYKIGF1RNPC1RAB9AATM
SCHEMBL1777163 0.85 SYK (0.73) SYKIGF1RNPC1RAB9AATM
SCHEMBL1778154 0.84 SYK (0.73) SYKIGF1RRIPK1JAK2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed