SCHEMBL6665702

SCHEMBL6665702

Clc1cc(-c2[c]nccn2)c2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.35
CCR8 P51685 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CCR5 P51681 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CYP2A6 P11509 1/20 0.32
NR4A2 P43354 2/20 0.31
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL4722076 0.79 GSK3B (0.43) L3MBTL1LMNACYP3A4MAPTAPEX1
SCHEMBL4720464 0.75 GSK3B (0.37) CCR1CCR8L3MBTL1LMNACYP3A4
SCHEMBL23024873 0.69 L3MBTL1 (0.43) L3MBTL1CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL26021801 0.69 TRPM4 (0.50) L3MBTL1LMNACYP3A4MAPTAPEX1
SCHEMBL31005182 0.68 PDE5A (0.44) L3MBTL1LMNAMAPTMAPK1ALDH1A1
SCHEMBL8096509 0.68 CYP1A2 (0.49) CYP3A4MAPTMAPK1ALDH1A1ESR1
SCHEMBL28903937 0.68 CYP1A2 (0.56) L3MBTL1LMNAMAPTALDH1A1ESR1
SCHEMBL21926318 0.68 KMT2A (0.60) MAPTMAPK1ALDH1A1CYP2A6CYP11B1
SCHEMBL30866407 0.66 MAPT (0.45) L3MBTL1LMNAMAPTMAPK1ALDH1A1
SCHEMBL30901487 0.65 MEN1 (0.56) MAPTMAPK1ALDH1A1CYP11B1GPR84

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-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed