SCHEMBL9340530

SCHEMBL9340530

CCCCCCCOc1cc(F)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
NOS1 P29475 1/20 0.41
TSHR P16473 1/20 0.41
DHFR P00374 5/20 0.40
MCHR1 Q99705 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9340477 0.88 KMT2A (0.45) CDK1CCNB1KMT2ATLR8CCNA2
SCHEMBL8446516 0.81 NPC1 (0.54) KMT2ANPC1ALDH1A1MAPK1RAB9A
SCHEMBL2990823 0.81 CDK1 (0.46) CDK1CCNB1KMT2ATLR8CCNA2
SCHEMBL17581241 0.80 KMT2A (0.44) KMT2ATSHRNPC1ALDH1A1MAPK1
SCHEMBL4564977 0.80 NUDT1 (0.58) CDK1CCNB1KMT2ATLR8CCNA2
SCHEMBL17589003 0.77 HTR7 (0.46) KMT2A
SCHEMBL10398846 0.76 CDK1 (0.43) CDK1CCNB1KMT2ATLR8CCNA2
SCHEMBL2987423 0.75 ALDH1A1 (0.46) CDK1CCNB1KMT2ATLR8CCNA2
SCHEMBL8505540 0.74 SMPD1 (0.37) TLR8
SCHEMBL7638429 0.73 TLR8 (0.56) KMT2ATLR8TSHRALDH1A1

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-0378089-B1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF AG (DE) 1994-06-29 EP disclosed
US-5011927-A Preparation of 2-amino-4-fluoropyrimidine derivatives BASF AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
EP-0378089-A1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed