SCHEMBL22066435

SCHEMBL22066435

C=C1C=C(c2cc(Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)c3ccsc3n2)C=CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ DDR1 Q08345 3/20 0.47
▸ DDR2 Q16832 3/20 0.47
▸ EPHB2 P29323 2/20 0.47
▸ LCK P06239 3/20 0.47
▸ MAPK14 Q16539 3/20 0.47
▸ SRC P12931 2/20 0.47
▸ KIT P10721 1/20 0.47
▸ CSF1R P07333 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ BRAF P15056 5/20 0.45
▸ KDR P35968 2/20 0.45
▸ TEK Q02763 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ RAF1 P04049 2/20 0.43
▸ PIKFYVE Q9Y2I7 1/20 0.43
▸ ESYT2 A0FGR8 1/20 0.43

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
SCHEMBL22025503 0.82 POLB (0.63) POLBMAPTAPEX1DDR1DDR2
SCHEMBL22066247 0.81 MAPT (0.44) POLBMAPTBRAFKDM4EAURKA
SCHEMBL22024781 0.81 PIKFYVE (0.65) POLBMAPTAPEX1DDR1DDR2
SCHEMBL22024821 0.76 PIKFYVE (0.62) POLBMAPTKITCSF1RBRAF
SCHEMBL22024822 0.75 PIKFYVE (0.74) APEX1DDR1DDR2EPHB2LCK
SCHEMBL22025088 0.71 MAPT (0.56) POLBMAPTBRAFKDM4EAURKA
SCHEMBL22024791 0.70 MEN1 (0.57) MAPTAPEX1DDR1DDR2EPHB2
SCHEMBL22024619 0.70 MAPT (0.56) POLBMAPTBRAFKDM4EPIKFYVE
SCHEMBL5023651 0.68 POLB (0.68) POLBMAPTAPEX1DDR1DDR2
SCHEMBL17131157 0.68 MAPK14 (0.72) POLBMAPTAPEX1DDR1DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 — — EP disclosed
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