SCHEMBL18745926

SCHEMBL18745926

NC(=O)c1ccc2[nH]c(O)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 13/20 0.47
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
LCK P06239 1/20 0.44
CHEK1 O14757 1/20 0.43
KMT2A Q03164 1/20 0.40

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
SCHEMBL3416768 0.86 CHEK2 (0.61) CHEK2PKN1PKN2
SCHEMBL30732472 0.83 CHEK2 (0.47) CHEK2PKN1PKN2MMP2MMP13
SCHEMBL22121440 0.83 FABP6 (0.51) CHEK2PKN1PKN2MMP2MMP13
SCHEMBL6680675 0.83 F2 (0.51)
SCHEMBL9304008 0.81 CHEK2 (0.49) CHEK2PKN1PKN2MMP2MMP13
SCHEMBL8262964 0.81 HSP90AA1 (0.55) CHEK2PKN1PKN2MMP2MMP13
SCHEMBL16318609 0.81 CHEK2 (0.49) CHEK2PKN1PKN2MMP2MMP13
SCHEMBL16134556 0.81 CHEK2 (0.46) CHEK2PKN1PKN2MMP2MMP13
SCHEMBL9028459 0.80 F10 (0.55) CHEK2PKN1PKN2MMP2MMP13
SCHEMBL10468388 0.80 ALDH1A1 (0.36) KMT2A

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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed