SCHEMBL9566563

SCHEMBL9566563

Nc1cc(C(=O)Nc2ncnc(-c3c(Cl)cccc3Cl)n2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.49
▸ JAK2 O60674 3/20 0.49
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LCK P06239 3/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41

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
SCHEMBL9566459 0.87 JAK2 (0.45) TYK2JAK2NPC1RAB9ALCK
SCHEMBL9566634 0.84 ADORA1 (0.48) TYK2JAK2MAPTKMT2ASMN1; SMN2
SCHEMBL10483371 0.83 JAK2 (0.41) TYK2JAK2NPC1RAB9ALCK
SCHEMBL9566616 0.82 ALDH1A1 (0.46) TYK2JAK2NPC1RAB9AMAPT
SCHEMBL9566461 0.82 L3MBTL1 (0.49) NPC1RAB9AKMT2AGABRPGABRD
SCHEMBL9566552 0.81 GABRP (0.48) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10483488 0.81 L3MBTL1 (0.45) TYK2JAK2NPC1RAB9ALCK
SCHEMBL9566580 0.81 L3MBTL1 (0.42) TYK2JAK2NPC1RAB9AKMT2A
SCHEMBL10483546 0.79 LMNA (0.45) NPC1RAB9AMAPTKMT2AGABRP
SCHEMBL10483353 0.78 SIRT2 (0.55) NPC1RAB9AKMT2AKDM4EMEN1

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-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 — — EP disclosed
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