SCHEMBL21622875

SCHEMBL21622875

Clc1ccccc1Nc1ccc2c(c1)N=C1C=C(c3ccccc3)C=CC12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.41
MAPK10 P53779 6/20 0.41
MAPK14 Q16539 6/20 0.41
ACVRL1 P37023 1/20 0.34
MAPT P10636 2/20 0.32
PDE5A O76074 1/20 0.32
AURKA O14965 2/20 0.31
IGF1R P08069 1/20 0.30
TSHR P16473 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
SCHEMBL23917373 0.72 MAPK14 (0.37) MAPK8MAPK10MAPK14ACVRL1MAPT
SCHEMBL3475625 0.64 MAPK14 (0.54) MAPK8MAPK10MAPK14ACVRL1MAPT
SCHEMBL6354557 0.61 MAPK14 (0.49) MAPK8MAPK10MAPK14ACVRL1MAPT
SCHEMBL30902223 0.60 TDP1 (0.61) MAPK8MAPK10MAPK14MAPTAURKA
SCHEMBL3279472 0.60 TDP1 (0.61) MAPK8MAPK10MAPK14MAPTAURKA
Hydrochloric Acid SCHEMBL6370463 0.58 MAPK10 (0.97) MAPK8MAPK10MAPK14MAPT
SCHEMBL28709843 0.57 MEN1 (0.55) MAPK8MAPK10MAPK14MAPTTSHR
SCHEMBL6355590 0.57 MAPK14 (0.47) MAPK8MAPK10MAPK14ACVRL1MAPT
SCHEMBL3225644 0.57 CYP3A4 (0.60) MAPK14MAPTTSHR
SCHEMBL28976313 0.57 GSK3B (0.51) MAPK8MAPK10MAPK14ACVRL1MAPT

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-3820966-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-08 EP disclosed
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed