SCHEMBL7822656

SCHEMBL7822656

Cc1nc(Nc2ccc(F)c(F)c2)nc(N2CCc3ccccc3C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
TRPC3 Q13507 2/20 0.36
TRPC6 Q9Y210 2/20 0.36
GRM5 P41594 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
EIF2AK2 P19525 1/20 0.33
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
BTK Q06187 2/20 0.33
APP P05067 1/20 0.32
TTK P33981 1/20 0.32
GSK3B P49841 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31

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
Hydrochloric Acid SCHEMBL7163241 0.99 AURKA (0.36) AURKAAURKBTRPC3TRPC6GRM5
SCHEMBL7858511 0.89 AURKA (0.36) AURKAAURKBKDM4EABL1BCR
SCHEMBL6160285 0.89 AURKA (0.36) AURKAAURKBABL1BCRBTK
Revaprazan SCHEMBL6990999 0.89 MEN1 (0.40) TRPC3TRPC6KDM4EMAPTLMNA
Revaprazan SCHEMBL29388090 0.89 MEN1 (0.40) TRPC3TRPC6KDM4EMAPTLMNA
Revaprazan SCHEMBL6993033 0.89 MEN1 (0.40) TRPC3TRPC6KDM4EMAPTLMNA
Revaprazan SCHEMBL2194461 0.89 MEN1 (0.40) TRPC3TRPC6KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL7164212 0.89 AURKA (0.35) AURKAAURKBKDM4EABL1BCR
SCHEMBL7832318 0.89 AURKA (0.35) AURKAAURKBABL1BCRBTK
Hydrochloric Acid SCHEMBL6158829 0.89 AURKA (0.35) AURKAAURKBKDM4EABL1BCR

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-1131312-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2001-09-12 EP disclosed
WO-2000029403-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2000-05-25 WO disclosed