SCHEMBL6968906

SCHEMBL6968906

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)CN4CCN(Cc5ccccc5)CC4)ccc3C2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PRKAA2 P54646 3/20 0.36
DHFR P00374 2/20 0.34
MGLL Q99685 1/20 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
Hydrochloric Acid SCHEMBL6965930 0.99 GPR6 (0.37) GPR6MEN1KMT2APRKAA2DHFR
SCHEMBL6969559 0.94 MEN1 (0.37) GPR6MEN1KMT2APRKAA2DHFR
Hydrochloric Acid SCHEMBL6968128 0.88 ATM (0.35) MEN1KMT2ADHFRMAPTSMN1; SMN2
SCHEMBL6957847 0.88 GRIN1 (0.36) LMNATP53
SCHEMBL6961412 0.85 SMN1; SMN2 (0.37) KMT2AMAPTSMN1; SMN2LMNAHTT
SCHEMBL6958886 0.85 POLB (0.38) KMT2AMAPTLMNAPOLBTP53
SCHEMBL6965486 0.84 KMT2A (0.37) MEN1KMT2AMAPTSMN1; SMN2CYP2C9
SCHEMBL6962260 0.84 SLC2A1 (0.40) KMT2AMAPTLMNACYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL6967948 0.84 MC4R (0.34) DHFRLMNATP53
Hydrochloric Acid SCHEMBL6967954 0.84 MC4R (0.34) DHFRLMNATP53

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