SCHEMBL6992289

SCHEMBL6992289

Cc1nc(N2CCc3ccccc3C2)nc(Nc2ccc(F)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.46
HTR2A P28223 12/20 0.46
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ROCK2 O75116 1/20 0.41

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 SCHEMBL6992435 0.99 HTR2C (0.47) HTR2CHTR2AMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL8566890 0.84 ALDH1A1 (0.40) HTR2AKMT2AGRIN2DGRIN3BCHRM1
Hydrochloric Acid SCHEMBL8573957 0.81 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9AGRIN2D
SCHEMBL6997622 0.80 MEN1 (0.45) MEN1BLMKMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL6997347 0.79 KDM4E (0.45) MEN1BLMKMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL6998587 0.78 HTR2C (0.41) HTR2CHTR2AMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL6995565 0.78 HTR2C (0.41) HTR2CHTR2AMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL6997564 0.78 HTR2C (0.41) HTR2CHTR2AMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL8567264 0.74 GRIN2D (0.48) HTR2CHTR2AMEN1BLMKMT2A
SCHEMBL8572968 0.74 GRIN2D (0.46) MEN1KMT2ANPC1RAB9AGRIN2D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed
CN-1102144-C Noval pyrimidine derivatives and prepn. processes thereof YUHAN CORP (KR) 2003-02-26 CN claimed
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP disclosed