SCHEMBL8801072

SCHEMBL8801072

Oc1nncc2c1cnn2-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK14 Q16539 5/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7953211 0.68 CDK4 (0.56) MAPK1CDK4CCND1L3MBTL1MEN1
SCHEMBL31447617 0.66 IDO1 (0.33) ALDH1A1
SCHEMBL20674467 0.66 IDO1 (0.33) ALDH1A1
SCHEMBL7229595 0.61 MAPK1 (1.00) MAPK1CDK4CCND1L3MBTL1CYP1A2
SCHEMBL20631787 0.61 PDE4D (0.32) —
SCHEMBL9526617 0.61 PKM (0.47) MAPK1CDK4CCND1L3MBTL1MEN1
SCHEMBL9308949 0.58 MAPK1 (0.78) MAPK1CDK4CCND1L3MBTL1MEN1
SCHEMBL11791537 0.58 MAPK1 (0.56) MAPK1CDK4CCND1L3MBTL1MEN1
SCHEMBL6476731 0.58 MAPK1 (0.56) MAPK1CDK4CCND1L3MBTL1MAPK14
SCHEMBL12670788 0.58 MAPK14 (0.45) L3MBTL1MAPK14CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681581-B1 SUBSTITUTED FUSED PYRAZOLO COMPOUNDS AND THEIR USE AS HERBICIDES ZENECA LTD (GB) 1997-09-10 — — EP disclosed
US-5430007-A Certain herbicidal pyrazolopyridazines ZENECA LIMITED (GB) 1995-07-04 — — US disclosed
WO-1994017062-A1 SUBSTITUTED FUSED PYRAZOLO COMPOUNDS AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-08-04 — — WO disclosed
US-5300478-A Herbicides ZENECA LIMITED (GB) 1994-04-05 — — US disclosed
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