SCHEMBL7238205

SCHEMBL7238205

CCO/C=C1\C(=O)Nc2ccc(N)cc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.55
ALK Q9UM73 4/20 0.52
FLT3 P36888 2/20 0.52
PDPK1 O15530 2/20 0.51
RPS6KA3 P51812 1/20 0.50
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
TGM2 P21980 1/20 0.42
DHFR P00374 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MDM2 Q00987 1/20 0.39
LRRK2 Q5S007 2/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7238212 1.00 RET (0.55) RETALKFLT3PDPK1RPS6KA3
SCHEMBL7543664 0.83 RET (0.52) RETRPS6KA3TGM2MEN1KMT2A
SCHEMBL11882118 0.79 SMN1; SMN2 (0.57) RETALKFLT3IDO1TGM2
SCHEMBL28411784 0.79 GSK3B (0.57) RETTGM2MEN1KMT2A
SCHEMBL7237107 0.77 RET (0.55) RETALKFLT3PDPK1RPS6KA3
SCHEMBL3160648 0.74 PDPK1 (0.44) FLT3PDPK1TGM2MEN1KMT2A
SCHEMBL3160654 0.74 PDPK1 (0.44) FLT3PDPK1TGM2MEN1KMT2A
SCHEMBL7238177 0.73 RET (0.57) RETALKFLT3PDPK1RPS6KA3
SCHEMBL5893884 0.73 RET (0.40) RETALKFLT3PDPK1RPS6KA3
SCHEMBL5893878 0.73 RET (0.40) RETALKFLT3PDPK1RPS6KA3

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
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed