SCHEMBL20535137

SCHEMBL20535137

N=C(N)c1nn(Cc2ccccn2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
ADRA1D P25100 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL1216562 0.82 NPSR1 (0.55) LMNAKDM4EPTGS1PTGS2CYP1A2
SCHEMBL20534496 0.81 GRIN1 (0.38) LMNAKDM4ETSHRGRIN1GRIN2B
SCHEMBL17324749 0.81 ALDH1A1 (0.44) LMNAKDM4EPTGS1PTGS2CYP1A2
SCHEMBL19675639 0.81 ALDH1A1 (0.39) LMNAKDM4EPTGS1PTGS2CYP1A2
SCHEMBL20534563 0.80 PTGER4 (0.44) LMNAKDM4EPTGS1PTGS2CYP1A2
SCHEMBL20250820 0.79 ALDH1A1 (0.45) LMNAKDM4EPTGS1PTGS2CYP1A2
SCHEMBL1215829 0.78 ELANE (0.51) LMNAKDM4EPTGS1PTGS2TSHR
SCHEMBL17321439 0.78 TSHR (0.46) LMNAKDM4EPTGS1PTGS2CYP1A2
SCHEMBL15882054 0.76 ELANE (0.57) KDM4EALDH1A1
SCHEMBL20534551 0.76 PTGER4 (0.41) LMNAKDM4EPTGS1PTGS2CYP1A2

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-3609883-A1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-02-19 EP disclosed
WO-2018188590-A1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-10-18 WO disclosed