SCHEMBL7490054

SCHEMBL7490054

CCOC(=O)c1c(Cn2cnnc2)nc2sc(C)c(C)c2c1-c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.45
▸ PRKCZ Q05513 1/20 0.45
▸ HSD17B10 Q99714 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 2/20 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
SCHEMBL7488126 0.88 PRKCI (0.42) PRKCIPRKCZHSD17B10KDM4ESMN1; SMN2
SCHEMBL7494845 0.88 PRKCI (0.48) PRKCIPRKCZHSD17B10KDM4ESMN1; SMN2
SCHEMBL7495269 0.87 PRKCI (0.46) PRKCIPRKCZHSD17B10KDM4ESMN1; SMN2
SCHEMBL7490046 0.86 ALDH1A1 (0.35) HSD17B10KDM4EHPGDALDH1A1MEN1
SCHEMBL7493393 0.84 SLC10A2 (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7490064 0.84 POLB (0.44) PRKCZKDM4ESMN1; SMN2TP53HPGD
SCHEMBL7488116 0.75 ALDH1A1 (0.33) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL7494921 0.72 SLC10A2 (0.44) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7490926 0.71 CYP2C9 (0.42) PRKCZKDM4ESMN1; SMN2TP53HPGD
SCHEMBL3384951 0.71 PRKCZ (0.66) PRKCIPRKCZHSD17B10KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791000-B1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 — — EP disclosed
US-5747486-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES (JP) 1998-05-05 — — US disclosed
EP-0791000-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1997-08-27 — — EP disclosed
WO-1996014319-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-17 — — WO disclosed
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