SCHEMBL7369640

SCHEMBL7369640

[CH2]CNc1nccc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
DYRK1A Q13627 5/20 0.33
CLK4 Q9HAZ1 5/20 0.33
CLK1 P49759 4/20 0.33
CLK2 P49760 4/20 0.33
DYRK1B Q9Y463 4/20 0.33
HRH4 Q9H3N8 2/20 0.33
MYLK Q15746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC2A1 P11166 1/20 0.32
CLK3 P49761 1/20 0.32
DNM2 P50570 2/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL1519442 0.80 LMNA (0.47) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL3320381 0.79 KMT2A (0.46) CLK4ALDH1A1SLC2A1
SCHEMBL11306815 0.77 MKNK1 (0.50) ALDH1A1
SCHEMBL8133400 0.77 CXCR4 (0.54) STK17AMRGPRX1DYRK1ACLK4CLK2
SCHEMBL16139311 0.77 DNM2 (0.46) MRGPRX1HRH4ALDH1A1DNM2
SCHEMBL10441707 0.76 ATM (0.55) ALDH1A1
SCHEMBL29836535 0.76 ATM (0.55) ALDH1A1
SCHEMBL9169741 0.76 HRH4 (0.52) HRH4
SCHEMBL1588726 0.76 HRH4 (0.57) HRH4
SCHEMBL14619914 0.74 HRH4 (0.55) STK17AHRH4DNM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1134412-C N-substituted 2-cyanopyrodlidines ��Ұ����ҩ��ʽ���� 2004-01-14 CN disclosed
CN-1236361-A N-substituted 2-cyanopyrrolidines NOVARTIS AG (CH) 1999-11-24 CN disclosed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP disclosed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 WO disclosed