SCHEMBL3708812

SCHEMBL3708812

O=C(NC(=O)N1CCCOCC1)c1cc(-c2ccccc2)nc2c1[nH]c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 7/20 0.50
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
JAK2 O60674 9/20 0.48
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2470045 0.81 PLAUR (0.46) PLAURALDH1A1TSHRLMNAJAK2
SCHEMBL139476 0.78 JAK2 (0.78) JAK2
SCHEMBL141707 0.73 JAK2 (0.83) JAK2
SCHEMBL141764 0.73 JAK2 (0.72) JAK2
SCHEMBL15800325 0.73 JAK2 (0.69) PLAURALDH1A1TSHRLMNAJAK2
SCHEMBL142082 0.73 JAK2 (0.66) PLAURALDH1A1TSHRLMNAJAK2
SCHEMBL146210 0.72 JAK2 (0.77) JAK2
SCHEMBL3708816 0.70 JAK2 (0.47) PLAURALDH1A1TSHRLMNAJAK2
SCHEMBL141650 0.70 JAK2 (0.55) ALDH1A1JAK2POLBKDM4EHPGD
SCHEMBL10271663 0.69 JAK2 (0.59) JAK2HPGD

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
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed