SCHEMBL9048451

SCHEMBL9048451

Nc1ncc(Sc2cccnc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3CA P42336 2/20 0.36
PIK3CG P48736 1/20 0.36
LIMK1 P53667 1/20 0.35
GRM5 P41594 1/20 0.35
CDK2 P24941 2/20 0.34
PIK3CD O00329 1/20 0.34
PIP5K1C O60331 1/20 0.34
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL15587224 0.82 MYC (0.47) MYCWDR5SMN1; SMN2CDK2NOS1
SCHEMBL9048249 0.81 NOS1 (0.46) MYCWDR5KDM4ESMN1; SMN2CYP2D6
SCHEMBL15540240 0.78 HPGDS (0.48) KDM4ESMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL9098198 0.75 MYC (0.59) MYCWDR5SMN1; SMN2CDK2NOS1
SCHEMBL5171580 0.75 CYP3A4 (0.48) MYCWDR5CYP3A4CDK2NOS1
SCHEMBL28451176 0.73 KDM4E (0.50) KDM4ESMN1; SMN2CYP2E1CYP3A4CYP2D6
SCHEMBL9548473 0.73 CYP2A6 (0.50) KDM4ESMN1; SMN2CYP2E1CYP3A4CYP2D6
SCHEMBL18613599 0.73 CDK2 (0.57) MYCWDR5KDM4ESMN1; SMN2CYP3A4
SCHEMBL1607000 0.73 MYC (0.48) MYCWDR5KDM4ELIMK1CDK2
SCHEMBL9426129 0.72 NR1H2 (0.45) MYCWDR5CYP3A4CDK2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412404-B1 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-31 EP disclosed
CN-1027370-C Process for preparing thiazole derivatives FUJISAWA FARMACEUTICAL CO LTD (JP) 1995-01-11 CN disclosed
US-5369107-A Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-29 US disclosed
US-5256675-A Antirheumatic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
CN-1049337-A Thiazole derivative prepares their method, and the medicinal compositions that contains them FUJISAWA PHARMACEUTICAL CO (JP) 1991-02-20 CN disclosed
EP-0412404-A2 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-13 EP disclosed