SCHEMBL9566552

SCHEMBL9566552

Nc1cc(C(=O)Nc2ncnc(-c3ccccc3)n2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.48
▸ GABRD O14764 1/20 0.48
▸ GABRA1 P14867 1/20 0.48
▸ GABRB1 P18505 1/20 0.48
▸ GABRG2 P18507 1/20 0.48
▸ GABRB3 P28472 1/20 0.48
▸ GABRA5 P31644 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ GABRA2 P47869 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ GABRA4 P48169 1/20 0.48
▸ GABRE P78334 1/20 0.48
▸ GABRA6 Q16445 1/20 0.48
▸ GABRG1 Q8N1C3 1/20 0.48
▸ GABRG3 Q99928 1/20 0.48
▸ GABRQ Q9UN88 1/20 0.48
▸ ADORA1 P30542 3/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.43
▸ CSF1R P07333 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
SCHEMBL10483353 0.88 SIRT2 (0.55) SIRT2KDM4ENPC1RAB9ATP53
SCHEMBL9566461 0.88 L3MBTL1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566514 0.88 CSNK1D (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566634 0.87 ADORA1 (0.48) ADORA1ADORA3CDK5CDK5R1KDM4E
SCHEMBL9566616 0.83 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566410 0.83 HDAC1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566459 0.83 JAK2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10483546 0.82 LMNA (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566563 0.81 TYK2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10483372 0.81 HDAC1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US claimed
EP-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 — — EP disclosed
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US disclosed
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