SCHEMBL12862355

SCHEMBL12862355

COc1cc(N2CCC(C)CC2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.48
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTR7 P34969 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL12961321 0.91 DPP4 (0.52) DPP4MAPTLMNAMEN1KMT2A
SCHEMBL1912001 0.86 DPP4 (0.47) DPP4MAPTLMNAMEN1KMT2A
SCHEMBL1911855 0.86 DPP4 (0.53) DPP4MAPTLMNAALDH1A1
SCHEMBL1911897 0.86 DPP4 (0.47) DPP4MAPTLMNAALDH1A1KDM4E
SCHEMBL12312000 0.83 DPP4 (0.45) DPP4MAPTLMNAALDH1A1
SCHEMBL25656907 0.83 ALDH1A1 (0.57) DPP4MAPTLMNAMEN1KMT2A
SCHEMBL12806668 0.83 ALDH1A1 (0.61) DPP4MAPTLMNAMEN1KMT2A
SCHEMBL29989539 0.83 MEN1 (0.45) DPP4MAPTLMNAMEN1KMT2A
SCHEMBL31058211 0.83 DRD2 (0.45) DPP4MAPTLMNAMEN1KMT2A
SCHEMBL1911880 0.82 DPP4 (0.44) DPP4MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP disclosed
EP-2287156-A1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders Novartis AG (CH) 2011-02-23 — — EP disclosed
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