SCHEMBL17907568

SCHEMBL17907568

CN1CCN(Cc2ccc(-c3cnc(N)nc3N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CHKA P35790 6/20 0.51
TNIK Q9UKE5 4/20 0.47
CA2 P00918 1/20 0.46
NCF1 P14598 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
DHFR P00374 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
PIK3CA P42336 1/20 0.45
MC4R P32245 1/20 0.45
MAP3K11 Q16584 1/20 0.44

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
SCHEMBL264111 0.84 HRH3 (0.56) DHFRACVR1PIK3CA
SCHEMBL28586035 0.81 BMP4 (0.50)
SCHEMBL14842245 0.80 TNIK (0.61) TNIKMAP3K11
SCHEMBL30560046 0.80 DHFR (0.59) DHFR
SCHEMBL265154 0.80 DHFR (0.59) DHFR
SCHEMBL4464379 0.79 MAPT (0.50) LMNA
SCHEMBL16039320 0.77 LMNA (0.58) LMNACHKATNIKCA2NCF1
SCHEMBL4472978 0.76 HRH3 (0.56) DHFR
Hydrochloric Acid SCHEMBL4963320 0.76 JAK2 (0.57) LMNACHKACA2NCF1PRMT6
SCHEMBL3588930 0.76 LMNA (0.56) LMNACHKATNIKCA2NCF1

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
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed