SCHEMBL17525311

SCHEMBL17525311

Cn1nc(Nc2ccnc(Cl)n2)cc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.40
▸ MAP3K12 Q12852 2/20 0.38
▸ PIK3C3 Q8NEB9 4/20 0.37
▸ DLK1 P80370 1/20 0.36
▸ IGF1R P08069 3/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ PAK4 O96013 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ NEK1 Q96PY6 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL17525312 0.77 IGF1R (0.47) MAP3K14IGF1RNEK1
SCHEMBL25248571 0.76 PAK1 (0.40) MAP3K14MAP3K12DLK1IGF1RMAP4K1
SCHEMBL31140969 0.73 JAK2 (0.35) —
SCHEMBL23887607 0.72 SYK (0.42) PIK3C3GRM5
SCHEMBL31141023 0.72 MAP3K14 (0.41) MAP3K14MAP3K12MAP4K1PAK4PAK1
SCHEMBL1164508 0.70 IGF1R (0.65) IGF1RPAK4PAK1NEK1
SCHEMBL3371250 0.70 PIK3C3 (0.34) MAP3K12PIK3C3IGF1RPAK4PAK1
SCHEMBL30532015 0.70 LRRK2 (0.40) IGF1RMAP4K1GRM5
SCHEMBL28673056 0.70 LRRK2 (0.40) IGF1RMAP4K1GRM5
SCHEMBL4066643 0.68 IGF1R (0.42) PIK3C3IGF1RPAK4PAK1NEK1

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
WO-2024206628-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2024-10-03 — — WO disclosed
WO-2016022839-A1 MODULATORS OF IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-11 — — WO disclosed
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