SCHEMBL10345102

SCHEMBL10345102

CCC(=O)Nc1nc(N)nc(NC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
ADORA3 P0DMS8 8/20 0.39
ADORA1 P30542 5/20 0.39
ADORA2A P29274 4/20 0.39
ADORA2B P29275 4/20 0.39
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPR3 P17342 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK4 P11802 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35

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
Hydrochloric Acid SCHEMBL10490553 0.98 HDAC1 (0.40) HDAC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10345301 0.88 ADORA1 (0.42) HDAC1ADORA3ADORA1ADORA2ACYP2C9
SCHEMBL17451135 0.85 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL10345111 0.85 KMT2A (0.42) ADORA1MEN1MAPTKMT2A
SCHEMBL10345100 0.84 HDAC1 (0.41) HDAC1CYP2C9NPR3CYP2C19MEN1
SCHEMBL10345096 0.83 HDAC1 (0.40) HDAC1ADORA3ADORA1CYP2C9NPR3
SCHEMBL3295887 0.82 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL10618577 0.81 CYP2C9 (0.40) HDAC1CYP2C9NPR3CYP2C19MAPT
SCHEMBL10618588 0.80 CYP2C9 (0.40) HDAC1CYP2C9NPR3CYP2C19CDK4
SCHEMBL17899113 0.79 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145660-B1 INSECTICIDAL COMPOSITION CIBA-GEIGY AG (CH) 1990-04-18 EP claimed
US-4824845-A CONTROLLING ECTOPARASITES IN ANIMALS CIBA-GEIGY CORPORATION (US) 1989-04-25 US claimed
EP-0145660-A2 Insecticidal composition CIBA-GEIGY AG (CH) 1985-06-19 EP claimed
EP-0145660-B1 INSECTICIDAL COMPOSITION CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed
US-4824845-A CONTROLLING ECTOPARASITES IN ANIMALS CIBA-GEIGY CORPORATION (US) 1989-04-25 US disclosed
EP-0145660-A2 Insecticidal composition CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed