SCHEMBL10660836

SCHEMBL10660836

Clc1nc(N2CCOCC2)c2ncnc(Sc3ccccc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ STK4 Q13043 1/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39

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
SCHEMBL10662046 0.91 ADK (0.46) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL10659843 0.89 LRRK2 (0.42) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL10661745 0.89 PDE10A (0.44) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10660617 0.89 STK4 (0.42) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10663147 0.89 PIK3CA (0.41) LMNAALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL10662831 0.86 HIF1A (0.40) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10662500 0.86 MAPT (0.47) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL10662912 0.84 PLK4 (0.42) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10659055 0.84 HTR2C (0.36) LMNAALDH1A1HPGDNPC1RAB9A
SCHEMBL8851197 0.83 ALDH1A1 (0.55) LMNAALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 — — US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 — — US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 — — US disclosed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 — — EP disclosed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
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