SCHEMBL7837719

SCHEMBL7837719

Cc1nc(Nc2ccccc2F)nc(N2CCc3cc(F)ccc3C2C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.37
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.35
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MTNR1B P49286 1/20 0.32
CDK2 P24941 2/20 0.31
CDK4 P11802 1/20 0.31
ESR1 P03372 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 SCHEMBL6159322 0.99 MAP4K1 (0.37) MAP4K1POLBRAB9AAPPKDM4E
SCHEMBL7831079 0.92 MAP4K1 (0.36) MAP4K1RAB9ANPC1NFKB1NFKB2
SCHEMBL7835366 0.92 POLB (0.38) POLBRAB9AAPPNPC1ALDH1A1
Hydrochloric Acid SCHEMBL6158963 0.91 MAP4K1 (0.37) MAP4K1POLBRAB9AAPPKDM4E
Hydrochloric Acid SCHEMBL6160999 0.91 MAP4K1 (0.35) MAP4K1RAB9ANPC1NFKB1NFKB2
Hydrochloric Acid SCHEMBL6160447 0.91 POLB (0.37) POLBRAB9AAPPNPC1ALDH1A1
SCHEMBL6158484 0.88 KDM4E (0.35) RAB9AKDM4ENPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7159588 0.88 POLB (0.36) MAP4K1POLBRAB9AAPPKDM4E
Hydrochloric Acid SCHEMBL27566512 0.87 KDM4E (0.31) KDM4ENPSR1MTNR1B
Hydrochloric Acid SCHEMBL6158437 0.87 GALR2 (0.34) KDM4EALDH1A1

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