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Formamide

Formamide

SCHEMBL250192

Cc1ccc(Cl)cc1-n1cnc(C(N)=O)c1-c1nc2cc(OCC3CCNCC3)ccc2[nH]1.NC=O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 17/20 0.44
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34

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
SCHEMBL214374 0.84 CHEK2 (0.39) CHEK2ITGB3ITGA2BHCAR1GABRA1
Hydrochloric Acid SCHEMBL214582 0.83 CHEK2 (0.39) CHEK2ITGB3ITGA2BHCAR1GABRA1
SCHEMBL214620 0.75 CHEK2 (0.39) CHEK2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL216277 0.75 CHEK2 (0.39) CHEK2ITGB3ITGA2B
SCHEMBL216260 0.74 CHEK2 (0.35) CHEK2HCAR1
Hydrochloric Acid SCHEMBL216946 0.73 TOP2A (0.35) CHEK2HCAR1
SCHEMBL214814 0.72 CHEK2 (0.40) CHEK2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL215295 0.71 CHEK2 (0.40) CHEK2ITGB3ITGA2B
SCHEMBL214381 0.67 KDM1A (0.38) CHEK2ITGB3ITGA2B
SCHEMBL1552741 0.67 CHEK2 (0.69) CHEK2

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US claimed