SCHEMBL28107653

SCHEMBL28107653

CCCCc1cnc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
AVPR1A P37288 1/20 0.41
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NR1H3 Q13133 1/20 0.39
CETP P11597 1/20 0.39
CACNA2D1 P54289 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL27628461 0.88 HSD11B1 (0.47) HSD11B1HPGDSMN1; SMN2TSHRPI4KA
SCHEMBL20198637 0.74 HSD11B1 (0.55) HSD11B1HPGDSMN1; SMN2TSHRAVPR1A
SCHEMBL11978680 0.73 MEN1 (0.50) HPGDSMN1; SMN2TSHRAVPR1API4KA
SCHEMBL17916170 0.72 CETP (0.40) HSD11B1HPGDTSHRPI4KAPI4K2B
SCHEMBL27752152 0.72 HSD11B1 (0.73) HSD11B1HPGDSMN1; SMN2TSHRAVPR1A
SCHEMBL195220 0.72 HSD11B1 (0.73) HSD11B1HPGDSMN1; SMN2TSHRAVPR1A
SCHEMBL23846180 0.71 HSD11B1 (0.72) HSD11B1HPGDSMN1; SMN2TSHRAVPR1A
SCHEMBL28352608 0.71 HPGD (0.43) HPGDSMN1; SMN2TSHRCACNA2D1ALDH1A1
SCHEMBL28356162 0.70 SMN1; SMN2 (0.51) HPGDSMN1; SMN2TSHRCACNA2D1ALDH1A1
SCHEMBL6619455 0.70 TSHR (0.51) HSD11B1HPGDTSHRNR1H3KDM4E

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
CN-103596957-B Imidazopyridazines as AKT kinase inhibitors 拜耳知识产权有限责任公司 2016-12-07 CN disclosed