SCHEMBL7624796

SCHEMBL7624796

Cc1nc(Cl)c2nn[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.35
PDK4 Q16654 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
SCHEMBL7874332 0.80
SCHEMBL3444433 0.78 ALDH1A1 (0.30)
SCHEMBL31439121 0.75
SCHEMBL7947045 0.75 CHUK (0.35)
SCHEMBL19917034 0.75 ADORA1 (0.31)
SCHEMBL30657797 0.75 MAPT (0.31)
SCHEMBL12963989 0.73 YTHDC1 (0.37)
SCHEMBL14026293 0.72
SCHEMBL7592335 0.69 ALDH1A1 (0.36)
SCHEMBL22224331 0.68 PDK2 (0.41) PDK2PDK4

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
WO-2018038265-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2018-03-01 WO disclosed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed