SCHEMBL6969559

SCHEMBL6969559

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)CN4CCN(Cc5ccccc5)CC4)cc3C2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PRKAA2 P54646 3/20 0.36
GPR6 P46095 2/20 0.36
ALDH1A1 P00352 2/20 0.35
DHFR P00374 3/20 0.34
AXL P30530 1/20 0.34
MAPT P10636 3/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL6968906 0.94 GPR6 (0.38) MEN1KMT2APRKAA2GPR6ALDH1A1
Hydrochloric Acid SCHEMBL6965930 0.94 GPR6 (0.37) MEN1KMT2APRKAA2GPR6ALDH1A1
Hydrochloric Acid SCHEMBL6960858 0.88 ATM (0.35) MEN1KMT2ADHFRMAPTSMN1; SMN2
SCHEMBL6955632 0.88 EGFR (0.33) KMT2ADHFRLMNATP53
SCHEMBL6970019 0.85 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6960659 0.84 POLB (0.38) KMT2AMAPTLMNAPOLBMAPK1
SCHEMBL6966508 0.84 KMT2A (0.37) MEN1KMT2AMAPTSMN1; SMN2CYP2C9
SCHEMBL6962677 0.84 SLC2A1 (0.40) KMT2AALDH1A1MAPTCYP2C9MAPK1
Hydrochloric Acid SCHEMBL6967327 0.84 SMN1; SMN2 (0.34) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6966802 0.84 MC4R (0.34) KMT2ADHFRLMNATP53

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 1 patent. 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 claimed