SCHEMBL6969362

SCHEMBL6969362

Cc1nc(Nc2ccc(F)cc2O)nc(N2CCc3ccccc3C2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.32
GRM5 P41594 2/20 0.32
PFKFB3 Q16875 1/20 0.32
TRPC3 Q13507 2/20 0.31
TRPC6 Q9Y210 2/20 0.31
SPR P35270 3/20 0.31
LIPE Q05469 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD1 P21728 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM1A O60341 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL6991378 0.91 AXL (0.35) PFKFB3ALDH1A1
SCHEMBL6997579 0.91 AXL (0.35) PFKFB3ALDH1A1
Hydrochloric Acid SCHEMBL6991405 0.90 AXL (0.34) PFKFB3ALDH1A1
Hydrochloric Acid SCHEMBL7159588 0.90 POLB (0.36) GRM5PFKFB3ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6993609 0.90 AXL (0.34) PFKFB3ALDH1A1
Hydrochloric Acid SCHEMBL6991842 0.90 AXL (0.34) PFKFB3ALDH1A1
SCHEMBL6956691 0.88 PTK2 (0.40) PIN1PFKFB3LRRK2
Revaprazan SCHEMBL6990999 0.84 MEN1 (0.40) PFKFB3TRPC3TRPC6ALDH1A1KMT2A
Revaprazan SCHEMBL2194461 0.84 MEN1 (0.40) PFKFB3TRPC3TRPC6ALDH1A1KMT2A
Revaprazan SCHEMBL6993033 0.84 MEN1 (0.40) PFKFB3TRPC3TRPC6ALDH1A1KMT2A

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-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed