SCHEMBL8044760

SCHEMBL8044760

Sc1cnc2nc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPT P10636 2/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
BRD4 O60885 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CDK2 P24941 1/20 0.32
PRKCI P41743 1/20 0.31
SYK P43405 1/20 0.31
RAD52 P43351 1/20 0.31
PAK1 Q13153 1/20 0.30

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
SCHEMBL3229989 0.76 KDM4E (0.50) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL30770845 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL21906548 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL27796456 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL620396 0.74 SMN1; SMN2 (0.48) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL29623085 0.74 KDM4E (0.39) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL324998 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL324999 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL8367003 0.74 KDM4E (0.39) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL914432 0.74 MMP12 (0.53) ALDH1A1KDM4EMAPTALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 US disclosed