SCHEMBL15068693

SCHEMBL15068693

CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1.O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
NR1H2 P55055 1/20 0.44
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RET P07949 3/20 0.42
KDR P35968 2/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNJ1 P48048 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 1/20 0.40
MKNK2 Q9HBH9 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1420633 0.94 NR1H2 (0.49) ALDH1A1KMT2AHPGDNR1H2CYP2D6
SCHEMBL15069002 0.88 NR1H2 (0.61) ALDH1A1KMT2AHPGDNR1H2CYP2D6
SCHEMBL15688039 0.85 LMNA (0.50) ALDH1A1KMT2ANR1H2NPSR1KCNJ1
SCHEMBL588829 0.84 NR1H2 (0.62) ALDH1A1NR1H2LMNASMN1; SMN2CTSB
SCHEMBL15690078 0.84 ALDH1A1 (0.58) ALDH1A1NR1H2L3MBTL1NPSR1KCNJ1
SCHEMBL29618194 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL588926 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL15687902 0.82 MEN1 (0.48) ALDH1A1KMT2ANR1H2KCNJ1MEN1
SCHEMBL31391167 0.81 NR1H2 (0.48) ALDH1A1NR1H2KCNJ1LMNASMN1; SMN2
SCHEMBL29958940 0.81 ALDH1A1 (0.42) ALDH1A1KMT2ANR1H2MAPTKCNJ1

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-2797927-A1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES Hanmi Pharm. Co., Ltd. (KR) 2014-11-05 EP disclosed
WO-2013100632-A1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARM CO., LTD. (KR) 2013-07-04 WO disclosed